Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-
Basic information
- CAS
207128-56-1- Standard SMILES
CCCCNC(=O)c1cc(NC(=O)Cn2c(=O)nc3n(CCCC)c4cccc([N+](=O)[O-])c4cc-3c2=O)cn1C- InChIKey
NKIGXIWZUKQIMV-UHFFFAOYSA-N- Molecular formula
- C27H31N7O6
- Average molar mass
- 549.6 g/mol
- Monoisotopic mass
- 549.23358173
Names & identifiers
- Preferred name
- Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-
- IUPAC
- N-butyl-4-[[2-(10-butyl-6-nitro-2,4-dioxopyrimido[4,5-b]quinolin-3-yl)acetyl]amino]-1-methylpyrrole-2-carboxamide
Names & synonyms
207128-56-1Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-DTXSID30174768N-Butyl-4-[2-(10-butyl-6-nitro-2,4-dioxo-4,10-dihydropyrimido[4,5-b]quinolin-3(2H)-yl)acetamido]-1-methyl-1H-pyrrole-2-carboxamide
Database identifiers
- CAS
207128-56-1- PubChem CID
- 154144
- DTXSID
DTXSID30174768
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…