6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one

C19H20N2O2 — CID 25318901

IUPAC6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CNc3ccc(C)cc3)cc2c1
InChIInChI=1S/C19H20N2O2/c1-3-23-17-8-9-18-14(11-17)10-15(19(22)21-18)12-20-16-6-4-13(2)5-7-16/h4-11,20H,3,12H2,1-2H3,(H,21,22)
InChIKeyNNGYJIRLKFTZCD-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.85
Rot. Bonds5

About 6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one

6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one (PubChem CID 25318901) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one
PubChem CID25318901
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CNc3ccc(C)cc3)cc2c1
InChIInChI=1S/C19H20N2O2/c1-3-23-17-8-9-18-14(11-17)10-15(19(22)21-18)12-20-16-6-4-13(2)5-7-16/h4-11,20H,3,12H2,1-2H3,(H,21,22)
InChIKeyNNGYJIRLKFTZCD-UHFFFAOYSA-N
XLogP3.85
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(3,5-dimethylpiperidin-1-yl)anilino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 11531553
3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 856495
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one
CID 865121
3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3171691
6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one
CID 3215146
N-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331268
6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 943158
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxypropyl)-3-(4-methylphenyl)thiourea
CID 3192145
3-[(3,4-dimethoxyanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 95855590
6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-1H-quinolin-2-one
CID 46950045
3-[(2,4-diethoxyanilino)methyl]-6-propyl-1H-quinolin-2-one
CID 46950053

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one (CID 25318901) is 6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one is CCOc1ccc2[nH]c(=O)c(CNc3ccc(C)cc3)cc2c1.
What is the InChIKey of 6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one?
The InChIKey is NNGYJIRLKFTZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-23-17-8-9-18-14(11-17)10-15(19(22)21-18)12-20-16-6-4-13(2)5-7-16/h4-11,20H,3,12H2,1-2H3,(H,21,22).
What are the key properties of 6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one?
6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 25318901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).