1-[8-(3-Morpholin-4-yl-propylamino)-4-o-tolylamino-quinolin-3-yl]-butan-1-one

HCID 10456244

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Basic information

Standard SMILES: CCCC(=O)c1cnc2c(NCCCN3CCOCC3)cccc2c1Nc1ccccc1C
InChIKey: JETFZCYLRZHOTC-UHFFFAOYSA-N
Molecular formula: C27H34N4O2
Average molar mass: 446.6 g/mol

Names & identifiers

Preferred name: 1-[8-(3-Morpholin-4-yl-propylamino)-4-o-tolylamino-quinolin-3-yl]-butan-1-one
IUPAC: 1-[4-(2-methylanilino)-8-(3-morpholin-4-ylpropylamino)quinolin-3-yl]butan-1-one

Names & synonyms

CHEMBL92347SCHEMBL9350529JETFZCYLRZHOTC-UHFFFAOYSA-NBDBM500320183-butyryl-4-(2-methyl phenylamino)-8-(3-morpholinopropylamino)quinoline1-[8-(3-Morpholin-4-yl-propylamino)-4-o-tolylamino-quinolin-3-yl]-butan-1-one

Database identifiers

PubChem CID: 10456244
ChEMBL: CHEMBL92347
Nikkaji: J690.412B

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 66.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 10
Heavy atoms: 33
Formal charge: 0
Complexity: 597

Related reactions

1 records

New reaction record

HRID 1090673As productuspto-grants-1992_01

Compound notes

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