3-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline

C20H22N4 — CID 166225630

IUPAC3-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline
SMILESCc1cc2ccccc2nc1N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C20H22N4/c1-16-13-18-6-2-3-7-19(18)22-20(16)24-11-9-23(10-12-24)15-17-5-4-8-21-14-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyJIESUHGWAFDLLG-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.26
Rot. Bonds3

About 3-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline

3-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline (PubChem CID 166225630) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name3-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline
PubChem CID166225630
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name3-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline
SMILESCc1cc2ccccc2nc1N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C20H22N4/c1-16-13-18-6-2-3-7-19(18)22-20(16)24-11-9-23(10-12-24)15-17-5-4-8-21-14-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyJIESUHGWAFDLLG-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]isoquinoline
CID 154878499
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline
CID 33378276
1-(5-chloro-2-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine
CID 78845508
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(pyridin-3-ylmethyl)piperazine
CID 90507604
6-methoxy-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 1454336
1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone
CID 110644990
1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine
CID 770178
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
6-(azepan-1-yl)-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 42199545
2-methyl-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 171326651
6-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 35417968
2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 63104400

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline?
The IUPAC name of 3-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline (CID 166225630) is 3-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline.
What is the SMILES notation for 3-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline?
The canonical SMILES for 3-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline is Cc1cc2ccccc2nc1N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 3-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline?
The InChIKey is JIESUHGWAFDLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-16-13-18-6-2-3-7-19(18)22-20(16)24-11-9-23(10-12-24)15-17-5-4-8-21-14-17/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of 3-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline?
3-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline has a molecular weight of 318.42 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline is sourced from PubChem (CID 166225630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).