3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline

C20H22N4 — CID 3580411

IUPAC3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
SMILESCc1ccc(C(c2cnc3ccccc3c2)N2CCNCC2)nc1
InChIInChI=1S/C20H22N4/c1-15-6-7-19(22-13-15)20(24-10-8-21-9-11-24)17-12-16-4-2-3-5-18(16)23-14-17/h2-7,12-14,20-21H,8-11H2,1H3
InChIKeyYXVLTBIDOSIOMY-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.93
Rot. Bonds3

About 3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline

3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline (PubChem CID 3580411) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline.

Molecular Properties

Compound Name3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
PubChem CID3580411
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
SMILESCc1ccc(C(c2cnc3ccccc3c2)N2CCNCC2)nc1
InChIInChI=1S/C20H22N4/c1-15-6-7-19(22-13-15)20(24-10-8-21-9-11-24)17-12-16-4-2-3-5-18(16)23-14-17/h2-7,12-14,20-21H,8-11H2,1H3
InChIKeyYXVLTBIDOSIOMY-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

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Related Compounds

3-[(5-ethyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 4682251
2-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 4574203
3-[(5-methylthiophen-2-yl)-piperazin-1-ylmethyl]quinoline
CID 3978003
1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine
CID 5017511
1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 3721209
3-[(2-bromophenyl)-piperazin-1-ylmethyl]quinoline
CID 3951791
3-[piperazin-1-yl(pyridin-3-yl)methyl]quinoline
CID 3563133
3-[1,4-diazepan-1-yl-(3-methyl-4-pyridinyl)methyl]quinoline
CID 3704590
1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 4023564
3-[(2,3-dimethoxyphenyl)-piperazin-1-ylmethyl]quinoline
CID 3831129
1-[(2,4-dichlorophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 4594125
3-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-piperazin-1-ylmethyl]quinoline
CID 3809399

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline?
The IUPAC name of 3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline (CID 3580411) is 3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline.
What is the SMILES notation for 3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline?
The canonical SMILES for 3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline is Cc1ccc(C(c2cnc3ccccc3c2)N2CCNCC2)nc1.
What is the InChIKey of 3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline?
The InChIKey is YXVLTBIDOSIOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15-6-7-19(22-13-15)20(24-10-8-21-9-11-24)17-12-16-4-2-3-5-18(16)23-14-17/h2-7,12-14,20-21H,8-11H2,1H3.
What are the key properties of 3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline?
3-[(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 3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline is sourced from PubChem (CID 3580411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).