1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one

C19H18N2O4S — CID 110424808

IUPAC1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc21
InChIInChI=1S/C19H18N2O4S/c22-18-11-13-21(17-5-2-1-4-16(17)18)26(24,25)15-9-7-14(8-10-15)20-12-3-6-19(20)23/h1-2,4-5,7-10H,3,6,11-13H2
InChIKeyARYZTASXHODMTM-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.60
Rot. Bonds3

About 1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one

1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one (PubChem CID 110424808) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one
PubChem CID110424808
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc21
InChIInChI=1S/C19H18N2O4S/c22-18-11-13-21(17-5-2-1-4-16(17)18)26(24,25)15-9-7-14(8-10-15)20-12-3-6-19(20)23/h1-2,4-5,7-10H,3,6,11-13H2
InChIKeyARYZTASXHODMTM-UHFFFAOYSA-N
XLogP2.60
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]piperidin-2-one
CID 110616863
1-(1,3-benzodioxol-5-ylsulfonyl)-2,3-dihydroquinolin-4-one
CID 110424789
4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 8823611
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide
CID 75526468
1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 9292872
1-[4-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 51320556
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110604097
1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one
CID 736863
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114959228
1-[4-[(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione
CID 110635566

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one (CID 110424808) is 1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one is O=C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc21.
What is the InChIKey of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one?
The InChIKey is ARYZTASXHODMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c22-18-11-13-21(17-5-2-1-4-16(17)18)26(24,25)15-9-7-14(8-10-15)20-12-3-6-19(20)23/h1-2,4-5,7-10H,3,6,11-13H2.
What are the key properties of 1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one?
1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one has a molecular weight of 370.43 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110424808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).