3-methyl-6-(1-methylpiperazin-2-yl)quinoline

C15H19N3 — CID 116997812

IUPAC3-methyl-6-(1-methylpiperazin-2-yl)quinoline
SMILESCc1cnc2ccc(C3CNCCN3C)cc2c1
InChIInChI=1S/C15H19N3/c1-11-7-13-8-12(3-4-14(13)17-9-11)15-10-16-5-6-18(15)2/h3-4,7-9,15-16H,5-6,10H2,1-2H3
InChIKeyMEPHXMCQRNZLHR-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.12
Rot. Bonds1

About 3-methyl-6-(1-methylpiperazin-2-yl)quinoline

3-methyl-6-(1-methylpiperazin-2-yl)quinoline (PubChem CID 116997812) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-methyl-6-(1-methylpiperazin-2-yl)quinoline.

Molecular Properties

Compound Name3-methyl-6-(1-methylpiperazin-2-yl)quinoline
PubChem CID116997812
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-methyl-6-(1-methylpiperazin-2-yl)quinoline
SMILESCc1cnc2ccc(C3CNCCN3C)cc2c1
InChIInChI=1S/C15H19N3/c1-11-7-13-8-12(3-4-14(13)17-9-11)15-10-16-5-6-18(15)2/h3-4,7-9,15-16H,5-6,10H2,1-2H3
InChIKeyMEPHXMCQRNZLHR-UHFFFAOYSA-N
XLogP2.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-5-(1-methylpiperazin-2-yl)pyridin-2-amine
CID 131540861
(2R)-1-methyl-2-pyridin-4-ylpiperazine
CID 28804916
2-(1,3-benzodioxol-5-yl)-1-methylpiperazine
CID 70977935
2-chloro-4-(1-methylpiperazin-2-yl)phenol
CID 82679784
3-(1-methylpiperazin-2-yl)phenol
CID 55262595
2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine
CID 83325529
1-methyl-2-(4-propan-2-ylphenyl)piperazine
CID 82021257
4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine
CID 116901849
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine
CID 82086895
1-methyl-2-(5-methyl-1H-imidazol-2-yl)piperazine
CID 116881081
4-(1-methylpiperazin-2-yl)benzoic acid
CID 116989147
3-methyl-6-(piperidin-3-ylmethyl)quinoline
CID 116997414

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(1-methylpiperazin-2-yl)quinoline?
The IUPAC name of 3-methyl-6-(1-methylpiperazin-2-yl)quinoline (CID 116997812) is 3-methyl-6-(1-methylpiperazin-2-yl)quinoline.
What is the SMILES notation for 3-methyl-6-(1-methylpiperazin-2-yl)quinoline?
The canonical SMILES for 3-methyl-6-(1-methylpiperazin-2-yl)quinoline is Cc1cnc2ccc(C3CNCCN3C)cc2c1.
What is the InChIKey of 3-methyl-6-(1-methylpiperazin-2-yl)quinoline?
The InChIKey is MEPHXMCQRNZLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-7-13-8-12(3-4-14(13)17-9-11)15-10-16-5-6-18(15)2/h3-4,7-9,15-16H,5-6,10H2,1-2H3.
What are the key properties of 3-methyl-6-(1-methylpiperazin-2-yl)quinoline?
3-methyl-6-(1-methylpiperazin-2-yl)quinoline has a molecular weight of 241.34 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(1-methylpiperazin-2-yl)quinoline is sourced from PubChem (CID 116997812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).