N-[4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-[(e)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethenyl]benzamide (CHEM345261)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 13:56:41 UTC | ||||||||
| Update Date | 2026-08-31 13:56:41 UTC | ||||||||
| Accession Number | CHEM345261 | ||||||||
| Identification | |||||||||
| Common Name | N-[4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-[(e)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethenyl]benzamide | ||||||||
| Class | Small Molecule | ||||||||
| Description | N-[4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-[(e)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethenyl]benzamide is a chemical compound with the formula C29H29N6O+. It has an average molecular weight of 477.60 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C29H29N6O+ | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 477.240 g/mol | ||||||||
| CAS Registry Number | 68772-33-8 | ||||||||
| IUPAC Name | N-[4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-[(e)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethenyl]benzamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C[N+]1=C2C=CC(=CC2=C(C=C1)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C=CC5=NCCCN5)N | ||||||||
| InChI Identifier | InChI=1S/C29H28N6O/c1-35-18-15-26(25-19-22(30)8-13-27(25)35)33-23-9-11-24(12-10-23)34-29(36)21-6-3-20(4-7-21)5-14-28-31-16-2-17-32-28/h3-15,18-19H,2,16-17,30H2,1H3,(H2,31,32,34,36)/p+1/b14-5+ | ||||||||
| InChI Key | MSKFBNHELANPSP-LHHJGKSTSA-O | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
