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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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).