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

C19H20N2O3S — CID 8822251

IUPAC1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C19H20N2O3S/c22-19-8-4-13-20(19)16-9-11-17(12-10-16)25(23,24)21-14-3-6-15-5-1-2-7-18(15)21/h1-2,5,7,9-12H,3-4,6,8,13-14H2
InChIKeyMACMFWNWIXCSLN-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.95
Rot. Bonds3

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

1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one (PubChem CID 8822251) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one
PubChem CID8822251
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C19H20N2O3S/c22-19-8-4-13-20(19)16-9-11-17(12-10-16)25(23,24)21-14-3-6-15-5-1-2-7-18(15)21/h1-2,5,7,9-12H,3-4,6,8,13-14H2
InChIKeyMACMFWNWIXCSLN-UHFFFAOYSA-N
XLogP2.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
4-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)aniline
CID 221221
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
2-(1,2-Dihydro-2-oxo-1-(phenylmethyl)-5-(1-piperidinylsulfonyl)-3H-indol-3-ylidene)propanedinitrile
CID 42618278
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one (CID 8822251) is 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one?
The InChIKey is MACMFWNWIXCSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-19-8-4-13-20(19)16-9-11-17(12-10-16)25(23,24)21-14-3-6-15-5-1-2-7-18(15)21/h1-2,5,7,9-12H,3-4,6,8,13-14H2.
What are the key properties of 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one?
1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one has a molecular weight of 356.45 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 8822251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).