Basic information
- CAS
207128-60-7- Standard SMILES
CCCCNC(=O)c1cc(NC(=O)Cn2c3nc(=O)n(C)c(=O)c-3cc3c([N+](=O)[O-])cccc32)cn1C- InChIKey
OMWCDIJXDAEPPL-UHFFFAOYSA-N- Molecular formula
- C24H25N7O6
- Average molar mass
- 507.5 g/mol
- Monoisotopic mass
- 507.18663154
Names & identifiers
- Preferred name
- Pyrimido(4,5-b)quinoline-10(2H)-acetamide, N-(5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo-
- IUPAC
- N-butyl-1-methyl-4-[[2-(3-methyl-6-nitro-2,4-dioxopyrimido[4,5-b]quinolin-10-yl)acetyl]amino]pyrrole-2-carboxamide
Names & synonyms
207128-60-7Pyrimido(4,5-b)quinoline-10(2H)-acetamide, N-(5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo-DTXSID60174771N-Butyl-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-carboxamide
Database identifiers
- CAS
207128-60-7- PubChem CID
- 154147
- DTXSID
DTXSID60174771
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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