2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile

C17H14N2O3S — CID 110634944

IUPAC2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile
SMILESCc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C17H14N2O3S/c1-12-6-7-15-14(10-12)16(20)8-9-19(15)23(21,22)17-5-3-2-4-13(17)11-18/h2-7,10H,8-9H2,1H3
InChIKeyURLRGWKYYCWJDG-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.65
Rot. Bonds2

About 2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile

2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile (PubChem CID 110634944) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile.

Molecular Properties

Compound Name2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile
PubChem CID110634944
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile
SMILESCc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C17H14N2O3S/c1-12-6-7-15-14(10-12)16(20)8-9-19(15)23(21,22)17-5-3-2-4-13(17)11-18/h2-7,10H,8-9H2,1H3
InChIKeyURLRGWKYYCWJDG-UHFFFAOYSA-N
XLogP2.65
TPSA78.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110604092
1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one
CID 110406435
2-[(6-acetyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile
CID 110737760
2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzonitrile
CID 24678207
1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110406441
2-[(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)sulfonyl]benzonitrile
CID 110669819
6-methyl-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one
CID 110634928
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-6-methyl-2,3-dihydroquinolin-4-one
CID 110634929
2-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)benzonitrile
CID 110713083
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile
CID 9286837
1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
N-[5-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110634940

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile?
The IUPAC name of 2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile (CID 110634944) is 2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile.
What is the SMILES notation for 2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile?
The canonical SMILES for 2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile is Cc1ccc2c(c1)C(=O)CCN2S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile?
The InChIKey is URLRGWKYYCWJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-12-6-7-15-14(10-12)16(20)8-9-19(15)23(21,22)17-5-3-2-4-13(17)11-18/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile?
2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile has a molecular weight of 326.38 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile is sourced from PubChem (CID 110634944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).