1-[4-(4,6-Dimethyl-benzo[1,3]dioxol-5-ylamino)-8-methoxy-quinolin-3-yl]-butan-1-one

HCID 10249935
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Basic information

Standard SMILES
CCCC(=O)c1cnc2c(OC)cccc2c1Nc1c(C)cc2c(c1C)OCO2
InChIKey
VHLOIZWHRWHHLP-UHFFFAOYSA-N
Molecular formula
C23H24N2O4
Average molar mass
392.4 g/mol
Monoisotopic mass
392.17360725

Names & identifiers

Preferred name
1-[4-(4,6-Dimethyl-benzo[1,3]dioxol-5-ylamino)-8-methoxy-quinolin-3-yl]-butan-1-one
IUPAC
1-[4-[(4,6-dimethyl-1,3-benzodioxol-5-yl)amino]-8-methoxyquinolin-3-yl]butan-1-one

Names & synonyms

CHEMBL328612SCHEMBL9724870VHLOIZWHRWHHLP-UHFFFAOYSA-NBDBM500320821-[4-(4,6-Dimethyl-benzo[1,3]dioxol-5-ylamino)-8-methoxy-quinolin-3-yl]-butan-1-one3-butyryl-4-(3,4-methylenedioxy-2,6-dimethylphenylamino)-8-methoxyquinoline

Database identifiers

PubChem CID
10249935
ChEMBL
CHEMBL328612

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
69.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

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