Mrv1652306031608412D          

 36 39  0  0  0  0            999 V2000
    1.5395    7.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    7.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6269   18.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8644   17.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    8.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    8.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    8.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    8.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   10.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8019   16.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118   11.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3894   16.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    9.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    9.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0394   16.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   12.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0394   14.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0394   17.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6269   16.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   11.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6269   15.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118   12.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   12.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8019   15.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6269   14.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3894   13.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8019   14.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7249   12.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5689   13.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   10.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3894   14.7805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    9.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0394   13.3515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5319   12.4263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0168   13.8784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   11.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
 11  9  2  0  0  0  0
 12 10  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 18  3  1  0  0  0  0
 18  4  1  0  0  0  0
 19 10  1  0  0  0  0
 19 15  2  0  0  0  0
 19 18  1  0  0  0  0
 20  9  1  0  0  0  0
 20 16  2  0  0  0  0
 21 15  1  0  0  0  0
 21 17  1  0  0  0  0
 22 11  1  0  0  0  0
 23 16  1  0  0  0  0
 23 22  2  0  0  0  0
 24 12  1  0  0  0  0
 24 21  2  0  0  0  0
 25 17  2  0  0  0  0
 27 25  1  4  0  0  0
 27 26  2  0  0  0  0
 28 22  1  0  0  0  0
 28 26  1  0  0  0  0
 29 23  1  0  0  0  0
 29 26  1  0  0  0  0
 30 20  1  0  0  0  0
 31 24  1  0  0  0  0
 31 27  1  0  0  0  0
 32 13  1  0  0  0  0
 32 14  1  0  0  0  0
 32 30  1  0  0  0  0
 33 25  1  0  0  0  0
 34 28  2  0  0  0  0
 35 29  2  0  0  0  0
 36 30  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044918

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCN(CCCC)C(=O)C1=CC2=C(C=C1)C(=O)C(C2=O)=C1NC2=C(C=C(C=C2)C(C)C)C=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C30H34N2O4/c1-5-7-13-32(14-8-6-2)30(36)20-9-11-22-23(16-20)29(35)26(28(22)34)27-25(33)17-21-15-19(18(3)4)10-12-24(21)31-27/h9-12,15-18,31,33H,5-8,13-14H2,1-4H3

> <INCHI_KEY>
KOEKGGSKIRCMGQ-UHFFFAOYSA-N

> <FORMULA>
C30H34N2O4

> <MOLECULAR_WEIGHT>
486.612

> <EXACT_MASS>
486.251857583

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
57.76513882509404

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N,N-dibutyl-2-[3-hydroxy-6-(propan-2-yl)-1,2-dihydroquinolin-2-ylidene]-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxamide

> <ALOGPS_LOGP>
5.36

> <JCHEM_LOGP>
5.0959391929999995

> <ALOGPS_LOGS>
-5.87

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.51582224872187

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.803135084177857

> <JCHEM_PKA_STRONGEST_BASIC>
-1.0154057459724033

> <JCHEM_POLAR_SURFACE_AREA>
86.71000000000001

> <JCHEM_REFRACTIVITY>
147.5559

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.57e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N,N-dibutyl-2-(3-hydroxy-6-isopropyl-1H-quinolin-2-ylidene)-1,3-dioxoindene-5-carboxamide

> <JCHEM_VEBER_RULE>
0

> <NAME>
N,N-di-n-butyl-2-(1,2-dihydro-3-hydroxy-6-isopropyl-2-quinolylidene)-1,3-dioxoindan-5-carboxamide

$$$$