1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one

C17H15NO5S — CID 110406441

IUPAC1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one
SMILESCc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H15NO5S/c1-11-2-4-14-13(8-11)15(19)6-7-18(14)24(20,21)12-3-5-16-17(9-12)23-10-22-16/h2-5,8-9H,6-7,10H2,1H3
InChIKeyFMXYHKFGOVHYPA-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.51
Rot. Bonds2

About 1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one

1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one (PubChem CID 110406441) has the molecular formula C17H15NO5S and a molecular weight of 345.38 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one
PubChem CID110406441
Molecular FormulaC17H15NO5S
Molecular Weight345.38 g/mol
Exact Mass345.07
IUPAC Name1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one
SMILESCc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H15NO5S/c1-11-2-4-14-13(8-11)15(19)6-7-18(14)24(20,21)12-3-5-16-17(9-12)23-10-22-16/h2-5,8-9H,6-7,10H2,1H3
InChIKeyFMXYHKFGOVHYPA-UHFFFAOYSA-N
XLogP2.51
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzodioxol-5-ylsulfonyl)-2,3-dihydroquinolin-4-one
CID 110424789
1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 110714208
1-(1,3-benzodioxol-5-ylsulfonyl)-8-methyl-2,3-dihydroquinolin-4-one
CID 110635542
1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one
CID 110406435
6-methyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one
CID 110634928
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine
CID 113075406
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-6-methyl-2,3-dihydroquinolin-4-one
CID 110634929
1-(1,3-benzodioxol-5-ylsulfonyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996322
1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110604092
7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 10568487
1-(1,3-benzodioxol-5-ylsulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline
CID 110669805
2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile
CID 110634944

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one (CID 110406441) is 1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one is Cc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one?
The InChIKey is FMXYHKFGOVHYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5S/c1-11-2-4-14-13(8-11)15(19)6-7-18(14)24(20,21)12-3-5-16-17(9-12)23-10-22-16/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one?
1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one has a molecular weight of 345.38 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110406441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).