Basic information
- CAS
207128-57-2- Standard SMILES
CCCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)Cn3c(=O)nc4n(CCCC)c5cccc([N+](=O)[O-])c5cc-4c3=O)cn2C)cn1C- InChIKey
BIBKBFILCFIEFJ-UHFFFAOYSA-N- Molecular formula
- C33H37N9O7
- Average molar mass
- 671.7 g/mol
- Monoisotopic mass
- 671.28159455
Names & identifiers
- Preferred name
- Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-
- IUPAC
- N-[5-(butylcarbamoyl)-1-methylpyrrol-3-yl]-4-[[2-(10-butyl-6-nitro-2,4-dioxopyrimido[4,5-b]quinolin-3-yl)acetyl]amino]-1-methylpyrrole-2-carboxamide
Names & synonyms
207128-57-2Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-DTXSID90174769N-[5-(Butylcarbamoyl)-1-methyl-1H-pyrrol-3-yl]-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
207128-57-2- PubChem CID
- 154145
- DTXSID
DTXSID90174769
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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