3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline

C15H19N3O2S — CID 62673138

IUPAC3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline
SMILESCc1cnc2c(S(=O)(=O)N3CCNCC3C)cccc2c1
InChIInChI=1S/C15H19N3O2S/c1-11-8-13-4-3-5-14(15(13)17-9-11)21(19,20)18-7-6-16-10-12(18)2/h3-5,8-9,12,16H,6-7,10H2,1-2H3
InChIKeyXPSWAVWLSNZIFI-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.53
Rot. Bonds2

About 3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline

3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline (PubChem CID 62673138) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline
PubChem CID62673138
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline
SMILESCc1cnc2c(S(=O)(=O)N3CCNCC3C)cccc2c1
InChIInChI=1S/C15H19N3O2S/c1-11-8-13-4-3-5-14(15(13)17-9-11)21(19,20)18-7-6-16-10-12(18)2/h3-5,8-9,12,16H,6-7,10H2,1-2H3
InChIKeyXPSWAVWLSNZIFI-UHFFFAOYSA-N
XLogP1.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline?
The IUPAC name of 3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline (CID 62673138) is 3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline.
What is the SMILES notation for 3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline?
The canonical SMILES for 3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline is Cc1cnc2c(S(=O)(=O)N3CCNCC3C)cccc2c1.
What is the InChIKey of 3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline?
The InChIKey is XPSWAVWLSNZIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-8-13-4-3-5-14(15(13)17-9-11)21(19,20)18-7-6-16-10-12(18)2/h3-5,8-9,12,16H,6-7,10H2,1-2H3.
What are the key properties of 3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline?
3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline has a molecular weight of 305.40 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(2-methylpiperazin-1-yl)sulfonylquinoline is sourced from PubChem (CID 62673138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).