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

C19H20N2O3S — CID 1258060

IUPAC(4S)-4-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CN1
InChIInChI=1S/C19H20N2O3S/c22-19-12-16(13-20-19)14-7-9-17(10-8-14)25(23,24)21-11-3-5-15-4-1-2-6-18(15)21/h1-2,4,6-10,16H,3,5,11-13H2,(H,20,22)/t16-/m1/s1
InChIKeyGXWCHNNMTCOCIU-MRXNPFEDSA-N
MW356.45 g/mol
LogP2.43
Rot. Bonds3

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

(4S)-4-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one (PubChem CID 1258060) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is (4S)-4-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one
PubChem CID1258060
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name(4S)-4-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CN1
InChIInChI=1S/C19H20N2O3S/c22-19-12-16(13-20-19)14-7-9-17(10-8-14)25(23,24)21-11-3-5-15-4-1-2-6-18(15)21/h1-2,4,6-10,16H,3,5,11-13H2,(H,20,22)/t16-/m1/s1
InChIKeyGXWCHNNMTCOCIU-MRXNPFEDSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one (CID 1258060) is (4S)-4-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one is O=C1C[C@@H](c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CN1.
What is the InChIKey of (4S)-4-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one?
The InChIKey is GXWCHNNMTCOCIU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-19-12-16(13-20-19)14-7-9-17(10-8-14)25(23,24)21-11-3-5-15-4-1-2-6-18(15)21/h1-2,4,6-10,16H,3,5,11-13H2,(H,20,22)/t16-/m1/s1.
What are the key properties of (4S)-4-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one?
(4S)-4-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one has a molecular weight of 356.45 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 1258060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).