4-(3-chlorophenyl)sulfonyl-N-methyl-8-(4-methylpiperazin-1-yl)quinolin-3-amine

C21H23ClN4O2S — CID 140652299

IUPAC4-(3-chlorophenyl)sulfonyl-N-methyl-8-(4-methylpiperazin-1-yl)quinolin-3-amine
SMILESCNc1cnc2c(N3CCN(C)CC3)cccc2c1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C21H23ClN4O2S/c1-23-18-14-24-20-17(7-4-8-19(20)26-11-9-25(2)10-12-26)21(18)29(27,28)16-6-3-5-15(22)13-16/h3-8,13-14,23H,9-12H2,1-2H3
InChIKeyALPPPFDRHUNGNH-UHFFFAOYSA-N
MW430.96 g/mol
LogP3.51
Rot. Bonds4

About 4-(3-chlorophenyl)sulfonyl-N-methyl-8-(4-methylpiperazin-1-yl)quinolin-3-amine

4-(3-chlorophenyl)sulfonyl-N-methyl-8-(4-methylpiperazin-1-yl)quinolin-3-amine (PubChem CID 140652299) has the molecular formula C21H23ClN4O2S and a molecular weight of 430.96 g/mol. Its IUPAC name is 4-(3-chlorophenyl)sulfonyl-N-methyl-8-(4-methylpiperazin-1-yl)quinolin-3-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)sulfonyl-N-methyl-8-(4-methylpiperazin-1-yl)quinolin-3-amine
PubChem CID140652299
Molecular FormulaC21H23ClN4O2S
Molecular Weight430.96 g/mol
Exact Mass430.12
IUPAC Name4-(3-chlorophenyl)sulfonyl-N-methyl-8-(4-methylpiperazin-1-yl)quinolin-3-amine
SMILESCNc1cnc2c(N3CCN(C)CC3)cccc2c1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C21H23ClN4O2S/c1-23-18-14-24-20-17(7-4-8-19(20)26-11-9-25(2)10-12-26)21(18)29(27,28)16-6-3-5-15(22)13-16/h3-8,13-14,23H,9-12H2,1-2H3
InChIKeyALPPPFDRHUNGNH-UHFFFAOYSA-N
XLogP3.51
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline
CID 71587769
2-(3-chlorophenyl)sulfonyl-N-methyl-4-piperazin-1-ylaniline
CID 140652363
3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
CID 67625625
3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57395160
1-butyl-3-(3-chlorophenyl)sulfonyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one
CID 20905309
2,4-ditert-butyl-8-(4-methylpiperazin-1-yl)quinoline
CID 153459065
[4-[[6-(3-chlorophenyl)sulfonyl-3-pyridinyl]methyl]piperidin-1-yl]-methylborinic acid
CID 20689423
8-chloro-4-(4-methylpiperazin-1-yl)cinnoline
CID 20922963
4-(3-chlorophenyl)sulfonyl-5,11-dimethyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene;hydrochloride
CID 162313973
N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide
CID 67156708
3-(3,5-dichloro-2-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 3543434
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)sulfonyl-N-methyl-8-(4-methylpiperazin-1-yl)quinolin-3-amine?
The IUPAC name of 4-(3-chlorophenyl)sulfonyl-N-methyl-8-(4-methylpiperazin-1-yl)quinolin-3-amine (CID 140652299) is 4-(3-chlorophenyl)sulfonyl-N-methyl-8-(4-methylpiperazin-1-yl)quinolin-3-amine.
What is the SMILES notation for 4-(3-chlorophenyl)sulfonyl-N-methyl-8-(4-methylpiperazin-1-yl)quinolin-3-amine?
The canonical SMILES for 4-(3-chlorophenyl)sulfonyl-N-methyl-8-(4-methylpiperazin-1-yl)quinolin-3-amine is CNc1cnc2c(N3CCN(C)CC3)cccc2c1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)sulfonyl-N-methyl-8-(4-methylpiperazin-1-yl)quinolin-3-amine?
The InChIKey is ALPPPFDRHUNGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2S/c1-23-18-14-24-20-17(7-4-8-19(20)26-11-9-25(2)10-12-26)21(18)29(27,28)16-6-3-5-15(22)13-16/h3-8,13-14,23H,9-12H2,1-2H3.
What are the key properties of 4-(3-chlorophenyl)sulfonyl-N-methyl-8-(4-methylpiperazin-1-yl)quinolin-3-amine?
4-(3-chlorophenyl)sulfonyl-N-methyl-8-(4-methylpiperazin-1-yl)quinolin-3-amine has a molecular weight of 430.96 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)sulfonyl-N-methyl-8-(4-methylpiperazin-1-yl)quinolin-3-amine is sourced from PubChem (CID 140652299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).