2-methyl-4-piperazin-1-ylquinoline;hydrochloride

C14H18ClN3 — CID 17040066

IUPAC2-methyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1cc(N2CCNCC2)c2ccccc2n1.Cl
InChIInChI=1S/C14H17N3.ClH/c1-11-10-14(17-8-6-15-7-9-17)12-4-2-3-5-13(12)16-11;/h2-5,10,15H,6-9H2,1H3;1H
InChIKeyHEBBGXFCWZQCNG-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.37
Rot. Bonds1

About 2-methyl-4-piperazin-1-ylquinoline;hydrochloride

2-methyl-4-piperazin-1-ylquinoline;hydrochloride (PubChem CID 17040066) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-methyl-4-piperazin-1-ylquinoline;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-piperazin-1-ylquinoline;hydrochloride
PubChem CID17040066
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-methyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1cc(N2CCNCC2)c2ccccc2n1.Cl
InChIInChI=1S/C14H17N3.ClH/c1-11-10-14(17-8-6-15-7-9-17)12-4-2-3-5-13(12)16-11;/h2-5,10,15H,6-9H2,1H3;1H
InChIKeyHEBBGXFCWZQCNG-UHFFFAOYSA-N
XLogP2.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121235975
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline
CID 121236001
8-fluoro-2-methyl-4-piperazin-1-ylquinoline
CID 39732499
N,4-dimethyl-1-(2-methylquinolin-4-yl)piperidin-4-amine
CID 115305596
4-[4-(2-chloroethyl)piperazin-1-yl]-2-methylquinoline
CID 63392682
cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
CID 158504598
4-(2-ethylpiperazin-1-yl)-2-methylquinoline
CID 63602882
4-methyl-2-piperazin-1-ylquinoline
CID 598754
5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline
CID 158334079
3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236420
5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236880
4-[4-(2-bromoethyl)-1,4-diazepan-1-yl]-2-methylquinoline
CID 80670661

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The IUPAC name of 2-methyl-4-piperazin-1-ylquinoline;hydrochloride (CID 17040066) is 2-methyl-4-piperazin-1-ylquinoline;hydrochloride.
What is the SMILES notation for 2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The canonical SMILES for 2-methyl-4-piperazin-1-ylquinoline;hydrochloride is Cc1cc(N2CCNCC2)c2ccccc2n1.Cl.
What is the InChIKey of 2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The InChIKey is HEBBGXFCWZQCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.ClH/c1-11-10-14(17-8-6-15-7-9-17)12-4-2-3-5-13(12)16-11;/h2-5,10,15H,6-9H2,1H3;1H.
What are the key properties of 2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
2-methyl-4-piperazin-1-ylquinoline;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperazin-1-ylquinoline;hydrochloride is sourced from PubChem (CID 17040066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).