7-amino-1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylquinolin-2-one

C18H18N2O4S — CID 110668375

IUPAC7-amino-1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylquinolin-2-one
SMILESCOc1ccc(S(=O)(=O)n2c(=O)c(C)cc3ccc(N)cc32)cc1C
InChIInChI=1S/C18H18N2O4S/c1-11-9-15(6-7-17(11)24-3)25(22,23)20-16-10-14(19)5-4-13(16)8-12(2)18(20)21/h4-10H,19H2,1-3H3
InChIKeySODMVGJQLFBOMJ-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.45
Rot. Bonds3

About 7-amino-1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylquinolin-2-one

7-amino-1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylquinolin-2-one (PubChem CID 110668375) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 7-amino-1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylquinolin-2-one.

Molecular Properties

Compound Name7-amino-1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylquinolin-2-one
PubChem CID110668375
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name7-amino-1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylquinolin-2-one
SMILESCOc1ccc(S(=O)(=O)n2c(=O)c(C)cc3ccc(N)cc32)cc1C
InChIInChI=1S/C18H18N2O4S/c1-11-9-15(6-7-17(11)24-3)25(22,23)20-16-10-14(19)5-4-13(16)8-12(2)18(20)21/h4-10H,19H2,1-3H3
InChIKeySODMVGJQLFBOMJ-UHFFFAOYSA-N
XLogP2.45
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-(3,4-dimethylphenyl)sulfonyl-1H-benzimidazol-2-one
CID 110724104
1-acetyl-7-amino-3-methylquinolin-2-one
CID 110668267
1-(4-methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 673991
1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
CID 28804121
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708141
N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941375
5-amino-3-(4-methylphenyl)sulfonyl-1H-benzimidazol-2-one
CID 110724096
5-amino-3-(2-methoxy-5-methylphenyl)sulfonyl-1-methylbenzimidazol-2-one
CID 110721858
(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962752
1-tert-butyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 113074863
3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine
CID 110740054

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylquinolin-2-one?
The IUPAC name of 7-amino-1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylquinolin-2-one (CID 110668375) is 7-amino-1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylquinolin-2-one.
What is the SMILES notation for 7-amino-1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylquinolin-2-one?
The canonical SMILES for 7-amino-1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylquinolin-2-one is COc1ccc(S(=O)(=O)n2c(=O)c(C)cc3ccc(N)cc32)cc1C.
What is the InChIKey of 7-amino-1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylquinolin-2-one?
The InChIKey is SODMVGJQLFBOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-11-9-15(6-7-17(11)24-3)25(22,23)20-16-10-14(19)5-4-13(16)8-12(2)18(20)21/h4-10H,19H2,1-3H3.
What are the key properties of 7-amino-1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylquinolin-2-one?
7-amino-1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylquinolin-2-one has a molecular weight of 358.42 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(4-methoxy-3-methylphenyl)sulfonyl-3-methylquinolin-2-one is sourced from PubChem (CID 110668375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).