N1-[4-(4-amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)butyl]benzamide

HCID 9909787

Notes Reactions

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Basic information

Standard SMILES: CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)c1ccccc1
InChIKey: IBLUWGLRANFKBP-UHFFFAOYSA-N
Molecular formula: C25H29N5O
Average molar mass: 415.5 g/mol
Monoisotopic mass: 415.23721057

Names & identifiers

Preferred name: N1-[4-(4-amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)butyl]benzamide
IUPAC: N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzamide

Names & synonyms

SCHEMBL3867030IBLUWGLRANFKBP-UHFFFAOYSA-NDB-403758N-[4-(4-Amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)butyl]benzamideN1-[4-(4-amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)butyl]benzamide313347-44-3

Database identifiers

PubChem CID: 9909787

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 85.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 9
Heavy atoms: 31
Formal charge: 0
Complexity: 566

Related reactions

4 records

New reaction record

HRID 353810As productuspto-grants-2004_06

HRID 746494As productuspto-grants-2008_07

HRID 1237084As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1280472As productuspto-grants-2002_09

Compound notes

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