6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

C19H20ClN3O3S — CID 3245003

IUPAC6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2N1
InChIInChI=1S/C19H20ClN3O3S/c20-15-2-1-3-16(13-15)22-8-10-23(11-9-22)27(25,26)17-5-6-18-14(12-17)4-7-19(24)21-18/h1-3,5-6,12-13H,4,7-11H2,(H,21,24)
InChIKeySYMBVDITAZDNCM-UHFFFAOYSA-N
MW405.91 g/mol
LogP2.74
Rot. Bonds3

About 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3245003) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID3245003
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC Name6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2N1
InChIInChI=1S/C19H20ClN3O3S/c20-15-2-1-3-16(13-15)22-8-10-23(11-9-22)27(25,26)17-5-6-18-14(12-17)4-7-19(24)21-18/h1-3,5-6,12-13H,4,7-11H2,(H,21,24)
InChIKeySYMBVDITAZDNCM-UHFFFAOYSA-N
XLogP2.74
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647908
N-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647906
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
N-(3-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7066683
11-{(3S)-3-(3-Chlorophenyl)-4-[methyl(phenylsulfonyl)amino]butyl}spiro[1,3,4-trihydroquinoline-4,4'-piperidine]-2-one
CID 5482454
N-(2-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7601938
6-(4-propylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8518042
6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-3,4-dihydroquinolin-2(1H)-one
CID 3241799
N-[2-(dipropylamino)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 3245121
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide
CID 9550514
N-[3-(dipropylamino)propyl]-2-{[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]amino}-2-phenylacetamide
CID 16194496
N-(3-chloro-4-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 44634859

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (CID 3245003) is 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2N1.
What is the InChIKey of 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SYMBVDITAZDNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c20-15-2-1-3-16(13-15)22-8-10-23(11-9-22)27(25,26)17-5-6-18-14(12-17)4-7-19(24)21-18/h1-3,5-6,12-13H,4,7-11H2,(H,21,24).
What are the key properties of 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 405.91 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3245003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).