3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one

C19H20N2O2 — CID 862232

IUPAC3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCOc1cccc(NCc2cc3cc(C)cc(C)c3[nH]c2=O)c1
InChIInChI=1S/C19H20N2O2/c1-12-7-13(2)18-14(8-12)9-15(19(22)21-18)11-20-16-5-4-6-17(10-16)23-3/h4-10,20H,11H2,1-3H3,(H,21,22)
InChIKeyYKEGFOUOEGZTIL-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.77
Rot. Bonds4

About 3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one

3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one (PubChem CID 862232) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
PubChem CID862232
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCOc1cccc(NCc2cc3cc(C)cc(C)c3[nH]c2=O)c1
InChIInChI=1S/C19H20N2O2/c1-12-7-13(2)18-14(8-12)9-15(19(22)21-18)11-20-16-5-4-6-17(10-16)23-3/h4-10,20H,11H2,1-3H3,(H,21,22)
InChIKeyYKEGFOUOEGZTIL-UHFFFAOYSA-N
XLogP3.77
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-chloroanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 25318868
3-[(2-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 864735
6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 943158
6-ethyl-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one
CID 25361645
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenoxypropanamide
CID 110325288
3-[[4-(3,5-dimethylpiperidin-1-yl)anilino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 46950123
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 69445167
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110325332
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide
CID 110325328
3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one
CID 6487599
3-benzyl-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]thiourea
CID 1141128
3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 944018

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one (CID 862232) is 3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one is COc1cccc(NCc2cc3cc(C)cc(C)c3[nH]c2=O)c1.
What is the InChIKey of 3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one?
The InChIKey is YKEGFOUOEGZTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-7-13(2)18-14(8-12)9-15(19(22)21-18)11-20-16-5-4-6-17(10-16)23-3/h4-10,20H,11H2,1-3H3,(H,21,22).
What are the key properties of 3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one?
3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 862232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).