8-methyl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylquinoline

C19H20N4O2S — CID 120764072

IUPAC8-methyl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylquinoline
SMILESCc1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)c2cccnc12
InChIInChI=1S/C19H20N4O2S/c1-14-6-7-18(16-5-3-9-22-19(14)16)26(24,25)23-11-10-21-13-17(23)15-4-2-8-20-12-15/h2-9,12,17,21H,10-11,13H2,1H3
InChIKeyOKEOZMUKRPPTPH-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.27
Rot. Bonds3

About 8-methyl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylquinoline

8-methyl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylquinoline (PubChem CID 120764072) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 8-methyl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name8-methyl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylquinoline
PubChem CID120764072
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name8-methyl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylquinoline
SMILESCc1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)c2cccnc12
InChIInChI=1S/C19H20N4O2S/c1-14-6-7-18(16-5-3-9-22-19(14)16)26(24,25)23-11-10-21-13-17(23)15-4-2-8-20-12-15/h2-9,12,17,21H,10-11,13H2,1H3
InChIKeyOKEOZMUKRPPTPH-UHFFFAOYSA-N
XLogP2.27
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763694
1-(5-bromo-2-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763612
1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764128
1-(4-ethoxy-2-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764104
1-(2-bromo-3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764349
1-(4,5-dimethyl-2-nitrophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763942
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
ethyl 4-methyl-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzoate
CID 120763928
1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763688
methyl 3,4-dimethyl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzoate
CID 120763641
5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 120763663
3-methoxy-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile
CID 120876714

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylquinoline?
The IUPAC name of 8-methyl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylquinoline (CID 120764072) is 8-methyl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylquinoline.
What is the SMILES notation for 8-methyl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylquinoline?
The canonical SMILES for 8-methyl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylquinoline is Cc1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)c2cccnc12.
What is the InChIKey of 8-methyl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylquinoline?
The InChIKey is OKEOZMUKRPPTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-14-6-7-18(16-5-3-9-22-19(14)16)26(24,25)23-11-10-21-13-17(23)15-4-2-8-20-12-15/h2-9,12,17,21H,10-11,13H2,1H3.
What are the key properties of 8-methyl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylquinoline?
8-methyl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylquinoline has a molecular weight of 368.46 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylquinoline is sourced from PubChem (CID 120764072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).