3-Hexanoyl-4-(2-methylphenylamino)-8-methoxyquinoline

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Basic information

Standard SMILES: CCCCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C
InChIKey: BBRYCNFEODUCHO-UHFFFAOYSA-N
Molecular formula: C23H26N2O2
Average molar mass: 362.5 g/mol
Monoisotopic mass: 362.19942808

Names & identifiers

Preferred name: 3-Hexanoyl-4-(2-methylphenylamino)-8-methoxyquinoline
IUPAC: 1-[8-methoxy-4-(2-methylanilino)quinolin-3-yl]hexan-1-one

Names & synonyms

CHEMBL115195SCHEMBL9653867BBRYCNFEODUCHO-UHFFFAOYSA-NBDBM500012303-hexanoyl-4-(2-methylphenylamino)-8-methoxyquinoline1-(8-Methoxy-4-o-tolylamino-quinolin-3-yl)-hexan-1-one

Database identifiers

PubChem CID: 9998751
ChEMBL: CHEMBL115195
Nikkaji: J510.403C

Properties

Computed structural properties

XLogP: 6.2
Topological polar surface area: 51.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 469

Related reactions

3 records

New reaction record

HRID 690598As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1382265As productuspto-grants-1989_02

HRID 1382317As productuspto-grants-1989_02

Compound notes

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