7-chloro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinoline

C20H20ClN3O2S — CID 1284909

IUPAC7-chloro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinoline
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1
InChIInChI=1S/C20H20ClN3O2S/c1-15-2-5-17(6-3-15)27(25,26)24-12-10-23(11-13-24)20-8-9-22-19-14-16(21)4-7-18(19)20/h2-9,14H,10-13H2,1H3
InChIKeyBPGLPAIFJLXHAK-UHFFFAOYSA-N
MW401.92 g/mol
LogP3.71
Rot. Bonds3

About 7-chloro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinoline

7-chloro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinoline (PubChem CID 1284909) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is 7-chloro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinoline
PubChem CID1284909
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC Name7-chloro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinoline
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1
InChIInChI=1S/C20H20ClN3O2S/c1-15-2-5-17(6-3-15)27(25,26)24-12-10-23(11-13-24)20-8-9-22-19-14-16(21)4-7-18(19)20/h2-9,14H,10-13H2,1H3
InChIKeyBPGLPAIFJLXHAK-UHFFFAOYSA-N
XLogP3.71
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

KM11060
CID 1241327
7-Chloro-4-(4-methyl-1-piperazinyl)quinoline
CID 7275193
Lys01
CID 70673567
5-Chloro-N-[4-(1-piperazinyl)-6-quinolinyl]-2-Naphthalenesulfonamide
CID 9890119
4-tert-butyl-N-(4-piperazin-1-ylquinolin-6-yl)benzenesulfonamide
CID 9954121
N-[5-[4-(4-benzylpiperazin-1-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609547
7-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
CID 2265943
7-Chloro-4-(4-((2,4-dinitrophenyl)sulfonyl)piperazin-1-yl)quinoline
CID 73442847
7-Chloro-4-(1-piperidinyl)quinoline
CID 2727551
6-Chloro-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroacridin-9-amine (12c)
CID 122199188
7-Chloro-4-[4-(ethylsulfonyl)piperazino]quinoline
CID 2823694
N-(4-chlorobenzyl)quinoline-8-sulfonamide
CID 16195529

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinoline?
The IUPAC name of 7-chloro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinoline (CID 1284909) is 7-chloro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinoline.
What is the SMILES notation for 7-chloro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinoline?
The canonical SMILES for 7-chloro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinoline is Cc1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1.
What is the InChIKey of 7-chloro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinoline?
The InChIKey is BPGLPAIFJLXHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c1-15-2-5-17(6-3-15)27(25,26)24-12-10-23(11-13-24)20-8-9-22-19-14-16(21)4-7-18(19)20/h2-9,14H,10-13H2,1H3.
What are the key properties of 7-chloro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinoline?
7-chloro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinoline has a molecular weight of 401.92 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinoline is sourced from PubChem (CID 1284909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).