Basic information
- CAS
207128-61-8- Standard SMILES
CCCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)Cn3c4nc(=O)n(C)c(=O)c-4cc4c([N+](=O)[O-])cccc43)cn2C)cn1C- InChIKey
VABVKDQZQMBFGR-UHFFFAOYSA-N- Molecular formula
- C30H31N9O7
- Average molar mass
- 629.6 g/mol
- Monoisotopic mass
- 629.23464436
Names & identifiers
- Preferred name
- Pyrimido(4,5-b)quinoline-10(2H)-acetamide, N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo-
- IUPAC
- N-[5-(butylcarbamoyl)-1-methylpyrrol-3-yl]-1-methyl-4-[[2-(3-methyl-6-nitro-2,4-dioxopyrimido[4,5-b]quinolin-10-yl)acetyl]amino]pyrrole-2-carboxamide
Names & synonyms
207128-61-8Pyrimido(4,5-b)quinoline-10(2H)-acetamide, N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo-DTXSID20174772N-Butyl-1-methyl-4-{1-methyl-4-[2-(3-methyl-6-nitro-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)acetamido]-1H-pyrrole-2-carboxamido}-1H-pyrrole-2-carboxamide
Database identifiers
- CAS
207128-61-8- PubChem CID
- 154148
- DTXSID
DTXSID20174772
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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