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

HCID 10314830
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Basic information

Standard SMILES
COc1cccc2c(Nc3ccccc3C)c(C(=O)C(C)C)cnc12
InChIKey
MGHDMBHMTYWABM-UHFFFAOYSA-N
Molecular formula
C21H22N2O2
Average molar mass
334.4 g/mol
Monoisotopic mass
334.16812795

Names & identifiers

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

Names & synonyms

CHEMBL113880SCHEMBL9650910MGHDMBHMTYWABM-UHFFFAOYSA-NBDBM500012323-isobutyryl-4-(2-methylphenylamino)-8-methoxyquinoline1-(8-Methoxy-4-o-tolylamino-quinolin-3-yl)-2-methyl-propan-1-one

Database identifiers

PubChem CID
10314830
ChEMBL
CHEMBL113880
Nikkaji
J510.401G

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
51.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
25

Related reactions

3 records
New reaction record

Compound notes

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