6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one

C18H18N2O2 — CID 943158

IUPAC6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CNc3cccc(C)c3)cc2c1
InChIInChI=1S/C18H18N2O2/c1-12-4-3-5-15(8-12)19-11-14-9-13-10-16(22-2)6-7-17(13)20-18(14)21/h3-10,19H,11H2,1-2H3,(H,20,21)
InChIKeyJHPWKJXYSKRTOZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.46
Rot. Bonds4

About 6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one

6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one (PubChem CID 943158) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
PubChem CID943158
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CNc3cccc(C)c3)cc2c1
InChIInChI=1S/C18H18N2O2/c1-12-4-3-5-15(8-12)19-11-14-9-13-10-16(22-2)6-7-17(13)20-18(14)21/h3-10,19H,11H2,1-2H3,(H,20,21)
InChIKeyJHPWKJXYSKRTOZ-UHFFFAOYSA-N
XLogP3.46
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 944018
3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 856495
6-ethyl-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one
CID 25361645
3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-methoxy-1H-quinolin-2-one
CID 856569
3-[(3,4-dimethoxyanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 95855590
3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 25318984
3-[(3-methoxyanilino)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 862232
6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one
CID 25318901
1-(3-hydroxypropyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)thiourea
CID 3174101
1-[2-(diethylamino)ethyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)thiourea
CID 3174125
4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylbenzenesulfonamide
CID 110324955
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one (CID 943158) is 6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(CNc3cccc(C)c3)cc2c1.
What is the InChIKey of 6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one?
The InChIKey is JHPWKJXYSKRTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-4-3-5-15(8-12)19-11-14-9-13-10-16(22-2)6-7-17(13)20-18(14)21/h3-10,19H,11H2,1-2H3,(H,20,21).
What are the key properties of 6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one?
6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one has a molecular weight of 294.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 943158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).