3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one

C19H20N2O — CID 25318648

IUPAC3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CNc3c(C)cccc3C)cc2c1
InChIInChI=1S/C19H20N2O/c1-12-7-8-17-15(9-12)10-16(19(22)21-17)11-20-18-13(2)5-4-6-14(18)3/h4-10,20H,11H2,1-3H3,(H,21,22)
InChIKeyNDOWAZBOQAMIFL-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.07
Rot. Bonds3

About 3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one

3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 25318648) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one
PubChem CID25318648
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CNc3c(C)cccc3C)cc2c1
InChIInChI=1S/C19H20N2O/c1-12-7-8-17-15(9-12)10-16(19(22)21-17)11-20-18-13(2)5-4-6-14(18)3/h4-10,20H,11H2,1-3H3,(H,21,22)
InChIKeyNDOWAZBOQAMIFL-UHFFFAOYSA-N
XLogP4.07
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one
CID 97057433
3-[(3,4-dimethoxyanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 95855590
3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618
3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 944018
1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea
CID 110414626
6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 943158
3-[(cyclopentylamino)methyl]-6-methyl-1H-quinolin-2-one
CID 863819
2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110414664
3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one
CID 107631320
3-[(2-bromo-5-methylanilino)methyl]-1H-quinolin-2-one
CID 82745470
2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 110325922

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one (CID 25318648) is 3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(CNc3c(C)cccc3C)cc2c1.
What is the InChIKey of 3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is NDOWAZBOQAMIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-12-7-8-17-15(9-12)10-16(19(22)21-17)11-20-18-13(2)5-4-6-14(18)3/h4-10,20H,11H2,1-3H3,(H,21,22).
What are the key properties of 3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one?
3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 292.38 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylanilino)methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 25318648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).