HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.9
  1. Home
  2. /Compound

Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-

HCID 154146
New noteNew reactionRequest quotesPrint preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
207128-58-3
Standard SMILES
CCCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)Cn4c(=O)nc5n(CCCC)c6cccc([N+](=O)[O-])c6cc-5c4=O)cn3C)cn2C)cn1C
InChIKey
RICLFPONNXHBPK-UHFFFAOYSA-N
Molecular formula
C39H43N11O8
Average molar mass
793.8 g/mol
Monoisotopic mass
793.32960737

Names & identifiers

Preferred name
Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)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-[[5-(butylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-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

207128-58-3Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-DTXSID00174770N-(5-{[5-(Butylcarbamoyl)-1-methyl-1H-pyrrol-3-yl]carbamoyl}-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
207128-58-3
PubChem CID
154146
DTXSID
DTXSID00174770

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
230 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
14
Heavy atoms
58
Formal charge
0
Complexity
1,680

Suppliers

Loading…

Open inquiries

Loading…

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes