1-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one

C20H22N2O3S — CID 18141527

IUPAC1-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
SMILESCC1CCc2ccccc2N1S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H22N2O3S/c1-15-8-9-16-5-2-3-6-19(16)22(15)26(24,25)18-12-10-17(11-13-18)21-14-4-7-20(21)23/h2-3,5-6,10-13,15H,4,7-9,14H2,1H3
InChIKeyFJMQMOFFQFAUPN-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.34
Rot. Bonds3

About 1-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one

1-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one (PubChem CID 18141527) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
PubChem CID18141527
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name1-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
SMILESCC1CCc2ccccc2N1S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H22N2O3S/c1-15-8-9-16-5-2-3-6-19(16)22(15)26(24,25)18-12-10-17(11-13-18)21-14-4-7-20(21)23/h2-3,5-6,10-13,15H,4,7-9,14H2,1H3
InChIKeyFJMQMOFFQFAUPN-UHFFFAOYSA-N
XLogP3.34
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-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-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
1-[4-(Piperidine-1-sulfonyl)-phenyl]-pyrrolidin-2-one
CID 745878
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
4-(3,4-Dihydroquinolin-1(2h)-Ylcarbonyl)benzenesulfonamide
CID 91827503
1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4884161
N-{4-[(6-fluoro-2-methyl-3,4-dihydro-1(2H)-quinolinyl)sulfonyl]phenyl}acetamide
CID 2931012
1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 2986661
1-{5-[(2-methylpiperidin-1-yl)sulfonyl]-2,3-dihydro-1H-indol-1-yl}ethan-1-one
CID 3597234
1-(2-Methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 3673453
11-oxo-N-phenyl-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide
CID 7526462

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one (CID 18141527) is 1-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one is CC1CCc2ccccc2N1S(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one?
The InChIKey is FJMQMOFFQFAUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-15-8-9-16-5-2-3-6-19(16)22(15)26(24,25)18-12-10-17(11-13-18)21-14-4-7-20(21)23/h2-3,5-6,10-13,15H,4,7-9,14H2,1H3.
What are the key properties of 1-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one?
1-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one has a molecular weight of 370.47 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 18141527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).