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

C19H20N4 — CID 138038903

IUPAC2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]quinoline
SMILESCc1cnccc1N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C19H20N4/c1-15-14-20-9-8-18(15)22-10-12-23(13-11-22)19-7-6-16-4-2-3-5-17(16)21-19/h2-9,14H,10-13H2,1H3
InChIKeyFUBLVIHAAKOSOM-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.26
Rot. Bonds2

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

2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]quinoline (PubChem CID 138038903) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]quinoline
PubChem CID138038903
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]quinoline
SMILESCc1cnccc1N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C19H20N4/c1-15-14-20-9-8-18(15)22-10-12-23(13-11-22)19-7-6-16-4-2-3-5-17(16)21-19/h2-9,14H,10-13H2,1H3
InChIKeyFUBLVIHAAKOSOM-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 7033665
pyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride
CID 3030200
pyrazin-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741613
2-(4-pentan-3-ylpiperazin-1-yl)quinoline
CID 11314275
3-methyl-4-(4-phenylpiperidin-1-yl)pyridine
CID 137318862
1-(3-methyl-4-pyridinyl)piperazine;dihydrochloride
CID 154825583
2-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]quinoline
CID 133315726
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873
2-(4-cyclopentyl-1,4-diazepan-1-yl)quinoline
CID 70742061
2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741550
(5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108810887
[3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 167768729

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]quinoline?
The IUPAC name of 2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]quinoline (CID 138038903) is 2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]quinoline.
What is the SMILES notation for 2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]quinoline?
The canonical SMILES for 2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]quinoline is Cc1cnccc1N1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]quinoline?
The InChIKey is FUBLVIHAAKOSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-15-14-20-9-8-18(15)22-10-12-23(13-11-22)19-7-6-16-4-2-3-5-17(16)21-19/h2-9,14H,10-13H2,1H3.
What are the key properties of 2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]quinoline?
2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]quinoline has a molecular weight of 304.40 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]quinoline is sourced from PubChem (CID 138038903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).