2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline

C20H22N4 — CID 4574203

IUPAC2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
SMILESCc1ccc(C(c2ccc3ccccc3n2)N2CCNCC2)nc1
InChIInChI=1S/C20H22N4/c1-15-6-8-18(22-14-15)20(24-12-10-21-11-13-24)19-9-7-16-4-2-3-5-17(16)23-19/h2-9,14,20-21H,10-13H2,1H3
InChIKeyWOPUPBNOWCMLOX-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.93
Rot. Bonds3

About 2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline

2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline (PubChem CID 4574203) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline.

Molecular Properties

Compound Name2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
PubChem CID4574203
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
SMILESCc1ccc(C(c2ccc3ccccc3n2)N2CCNCC2)nc1
InChIInChI=1S/C20H22N4/c1-15-6-8-18(22-14-15)20(24-12-10-21-11-13-24)19-9-7-16-4-2-3-5-17(16)23-19/h2-9,14,20-21H,10-13H2,1H3
InChIKeyWOPUPBNOWCMLOX-UHFFFAOYSA-N
XLogP2.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline 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

3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 3580411
1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine
CID 5017511
2-[(4-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
CID 4574201
2-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
CID 5201718
1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 4594125
1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 3721209
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]quinoline;dihydrochloride
CID 171284611
2-[(2-bromophenyl)-(1,4-diazepan-1-yl)methyl]quinoline
CID 3609729
1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 4023564
1-[(5-methyl-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 4586883
2-[(1S)-1-piperazin-1-ylbutyl]quinoline;dihydrochloride
CID 171284605
1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 3580292

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline?
The IUPAC name of 2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline (CID 4574203) is 2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline.
What is the SMILES notation for 2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline?
The canonical SMILES for 2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline is Cc1ccc(C(c2ccc3ccccc3n2)N2CCNCC2)nc1.
What is the InChIKey of 2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline?
The InChIKey is WOPUPBNOWCMLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15-6-8-18(22-14-15)20(24-12-10-21-11-13-24)19-9-7-16-4-2-3-5-17(16)23-19/h2-9,14,20-21H,10-13H2,1H3.
What are the key properties of 2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline?
2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline has a molecular weight of 318.42 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline is sourced from PubChem (CID 4574203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).