1-[4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one

C20H22N2O3S — CID 35972429

IUPAC1-[4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
SMILESCc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H22N2O3S/c1-15-6-11-19-16(14-15)4-2-13-22(19)26(24,25)18-9-7-17(8-10-18)21-12-3-5-20(21)23/h6-11,14H,2-5,12-13H2,1H3
InChIKeyDKEZGAARLIUVKG-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.26
Rot. Bonds3

About 1-[4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one

1-[4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one (PubChem CID 35972429) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-[4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
PubChem CID35972429
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name1-[4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
SMILESCc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H22N2O3S/c1-15-6-11-19-16(14-15)4-2-13-22(19)26(24,25)18-9-7-17(8-10-18)21-12-3-5-20(21)23/h6-11,14H,2-5,12-13H2,1H3
InChIKeyDKEZGAARLIUVKG-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(6-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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one (CID 35972429) is 1-[4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one is Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one?
The InChIKey is DKEZGAARLIUVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-15-6-11-19-16(14-15)4-2-13-22(19)26(24,25)18-9-7-17(8-10-18)21-12-3-5-20(21)23/h6-11,14H,2-5,12-13H2,1H3.
What are the key properties of 1-[4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one?
1-[4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one has a molecular weight of 370.47 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 35972429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).