7-amino-3-(4-methoxyphenyl)-1-methylquinolin-2-one

C17H16N2O2 — CID 163575667

IUPAC7-amino-3-(4-methoxyphenyl)-1-methylquinolin-2-one
SMILESCOc1ccc(-c2cc3ccc(N)cc3n(C)c2=O)cc1
InChIInChI=1S/C17H16N2O2/c1-19-16-10-13(18)6-3-12(16)9-15(17(19)20)11-4-7-14(21-2)8-5-11/h3-10H,18H2,1-2H3
InChIKeyGDGBUSARKRLFAJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.80
Rot. Bonds2

About 7-amino-3-(4-methoxyphenyl)-1-methylquinolin-2-one

7-amino-3-(4-methoxyphenyl)-1-methylquinolin-2-one (PubChem CID 163575667) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 7-amino-3-(4-methoxyphenyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name7-amino-3-(4-methoxyphenyl)-1-methylquinolin-2-one
PubChem CID163575667
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name7-amino-3-(4-methoxyphenyl)-1-methylquinolin-2-one
SMILESCOc1ccc(-c2cc3ccc(N)cc3n(C)c2=O)cc1
InChIInChI=1S/C17H16N2O2/c1-19-16-10-13(18)6-3-12(16)9-15(17(19)20)11-4-7-14(21-2)8-5-11/h3-10H,18H2,1-2H3
InChIKeyGDGBUSARKRLFAJ-UHFFFAOYSA-N
XLogP2.80
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-1-methylquinolin-2-one;ethane
CID 90778369
3-ethyl-7-methoxy-1-methylquinolin-2-one
CID 143543946
1,5,6-tris(4-methoxyphenyl)indole
CID 174980314
6-(4-methoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 135382571
1-(3-aminophenyl)-5-(4-methoxyphenyl)pyridin-2-one
CID 89122782
ethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate
CID 13180335
4-amino-1-(4-methoxyphenyl)pyridin-2-one
CID 10130616
4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline
CID 104781273
6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656714
3-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid
CID 71964428
5-amino-1,3-dimethylbenzimidazol-2-one;azane
CID 67182672
3-amino-4-(4-methoxyphenyl)-1-phenylpyridin-2-one
CID 141318946

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(4-methoxyphenyl)-1-methylquinolin-2-one?
The IUPAC name of 7-amino-3-(4-methoxyphenyl)-1-methylquinolin-2-one (CID 163575667) is 7-amino-3-(4-methoxyphenyl)-1-methylquinolin-2-one.
What is the SMILES notation for 7-amino-3-(4-methoxyphenyl)-1-methylquinolin-2-one?
The canonical SMILES for 7-amino-3-(4-methoxyphenyl)-1-methylquinolin-2-one is COc1ccc(-c2cc3ccc(N)cc3n(C)c2=O)cc1.
What is the InChIKey of 7-amino-3-(4-methoxyphenyl)-1-methylquinolin-2-one?
The InChIKey is GDGBUSARKRLFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-19-16-10-13(18)6-3-12(16)9-15(17(19)20)11-4-7-14(21-2)8-5-11/h3-10H,18H2,1-2H3.
What are the key properties of 7-amino-3-(4-methoxyphenyl)-1-methylquinolin-2-one?
7-amino-3-(4-methoxyphenyl)-1-methylquinolin-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(4-methoxyphenyl)-1-methylquinolin-2-one is sourced from PubChem (CID 163575667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).