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

C19H19ClN2O3S — CID 38893984

IUPAC1-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(S(=O)(=O)N2CCCc3cc(Cl)ccc32)cc1
InChIInChI=1S/C19H19ClN2O3S/c20-15-5-10-18-14(13-15)3-1-12-22(18)26(24,25)17-8-6-16(7-9-17)21-11-2-4-19(21)23/h5-10,13H,1-4,11-12H2
InChIKeyBKVKUXMSMBATTE-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.61
Rot. Bonds3

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

1-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one (PubChem CID 38893984) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is 1-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
PubChem CID38893984
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Name1-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(S(=O)(=O)N2CCCc3cc(Cl)ccc32)cc1
InChIInChI=1S/C19H19ClN2O3S/c20-15-5-10-18-14(13-15)3-1-12-22(18)26(24,25)17-8-6-16(7-9-17)21-11-2-4-19(21)23/h5-10,13H,1-4,11-12H2
InChIKeyBKVKUXMSMBATTE-UHFFFAOYSA-N
XLogP3.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one (CID 38893984) is 1-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(S(=O)(=O)N2CCCc3cc(Cl)ccc32)cc1.
What is the InChIKey of 1-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one?
The InChIKey is BKVKUXMSMBATTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c20-15-5-10-18-14(13-15)3-1-12-22(18)26(24,25)17-8-6-16(7-9-17)21-11-2-4-19(21)23/h5-10,13H,1-4,11-12H2.
What are the key properties of 1-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one?
1-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one has a molecular weight of 390.89 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 38893984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).