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Pyrimido(4,5-b)quinoline-10(2H)-acetamide, 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)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo-

HCID 154149
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
207128-62-9
Standard SMILES
CCCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)Cn4c5nc(=O)n(C)c(=O)c-5cc5c([N+](=O)[O-])cccc54)cn3C)cn2C)cn1C
InChIKey
UEXRMMMWNGVYRP-UHFFFAOYSA-N
Molecular formula
C36H37N11O8
Average molar mass
751.7 g/mol
Monoisotopic mass
751.28265718

Names & identifiers

Preferred name
Pyrimido(4,5-b)quinoline-10(2H)-acetamide, 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)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo-
IUPAC
N-[5-[[5-(butylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-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

207128-62-9Pyrimido(4,5-b)quinoline-10(2H)-acetamide, 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)-3,4-dihydro-3-methyl-6-nitro-2,4-dioxo-DTXSID80174773N-Butyl-1-methyl-4-(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-carboxamido)-1H-pyrrole-2-carboxamide

Database identifiers

CAS
207128-62-9
PubChem CID
154149
DTXSID
DTXSID80174773

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
230 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
11
Heavy atoms
55
Formal charge
0
Complexity
1,630

Related reactions

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Compound notes

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