4-methyl-2-piperazin-1-ylquinoline

C14H17N3 — CID 598754

IUPAC4-methyl-2-piperazin-1-ylquinoline
SMILESCc1cc(N2CCNCC2)nc2ccccc12
InChIInChI=1S/C14H17N3/c1-11-10-14(17-8-6-15-7-9-17)16-13-5-3-2-4-12(11)13/h2-5,10,15H,6-9H2,1H3
InChIKeyLCRABWZMGNEZJV-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.95
Rot. Bonds1

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

4-methyl-2-piperazin-1-ylquinoline (PubChem CID 598754) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-methyl-2-piperazin-1-ylquinoline.

Molecular Properties

Compound Name4-methyl-2-piperazin-1-ylquinoline
PubChem CID598754
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-methyl-2-piperazin-1-ylquinoline
SMILESCc1cc(N2CCNCC2)nc2ccccc12
InChIInChI=1S/C14H17N3/c1-11-10-14(17-8-6-15-7-9-17)16-13-5-3-2-4-12(11)13/h2-5,10,15H,6-9H2,1H3
InChIKeyLCRABWZMGNEZJV-UHFFFAOYSA-N
XLogP1.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-piperazin-1-ylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-piperazin-1-ylquinolin-7-ol
CID 136918047
4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide
CID 71858345
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108777261
7-methoxy-4-methyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237212
7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline
CID 69237633
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
CID 4884632
4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline
CID 108777250
4-(3-chloropropyl)-2-piperazin-1-ylquinoline
CID 3080999
2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
(2S,6S)-2,6-dimethyl-4-(4-methylquinolin-2-yl)morpholine
CID 705234
2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline
CID 108777251
4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline
CID 108777282

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperazin-1-ylquinoline?
The IUPAC name of 4-methyl-2-piperazin-1-ylquinoline (CID 598754) is 4-methyl-2-piperazin-1-ylquinoline.
What is the SMILES notation for 4-methyl-2-piperazin-1-ylquinoline?
The canonical SMILES for 4-methyl-2-piperazin-1-ylquinoline is Cc1cc(N2CCNCC2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-piperazin-1-ylquinoline?
The InChIKey is LCRABWZMGNEZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-10-14(17-8-6-15-7-9-17)16-13-5-3-2-4-12(11)13/h2-5,10,15H,6-9H2,1H3.
What are the key properties of 4-methyl-2-piperazin-1-ylquinoline?
4-methyl-2-piperazin-1-ylquinoline has a molecular weight of 227.31 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperazin-1-ylquinoline is sourced from PubChem (CID 598754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).