2-(4-pentan-3-ylpiperazin-1-yl)quinoline

C18H25N3 — CID 11314275

IUPAC2-(4-pentan-3-ylpiperazin-1-yl)quinoline
SMILESCCC(CC)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C18H25N3/c1-3-16(4-2)20-11-13-21(14-12-20)18-10-9-15-7-5-6-8-17(15)19-18/h5-10,16H,3-4,11-14H2,1-2H3
InChIKeyFNSKLNDKQPXTIL-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.55
Rot. Bonds4

About 2-(4-pentan-3-ylpiperazin-1-yl)quinoline

2-(4-pentan-3-ylpiperazin-1-yl)quinoline (PubChem CID 11314275) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(4-pentan-3-ylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name2-(4-pentan-3-ylpiperazin-1-yl)quinoline
PubChem CID11314275
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-(4-pentan-3-ylpiperazin-1-yl)quinoline
SMILESCCC(CC)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C18H25N3/c1-3-16(4-2)20-11-13-21(14-12-20)18-10-9-15-7-5-6-8-17(15)19-18/h5-10,16H,3-4,11-14H2,1-2H3
InChIKeyFNSKLNDKQPXTIL-UHFFFAOYSA-N
XLogP3.55
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-quinolin-2-ylpiperazin-1-yl)propanethioamide
CID 63342365
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873
2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 7033665
4-ethyl-1-quinolin-2-ylpiperidine-4-carboxylic acid
CID 63125876
2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741550
2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 4310270
2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 3063580
2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 63591436
3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741630
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline
CID 9109583
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]quinoline;hydrobromide
CID 22468029
2-(4-quinolin-2-yl-1,4-diazepan-1-yl)ethanol
CID 63309594

Frequently Asked Questions

What is the IUPAC name of 2-(4-pentan-3-ylpiperazin-1-yl)quinoline?
The IUPAC name of 2-(4-pentan-3-ylpiperazin-1-yl)quinoline (CID 11314275) is 2-(4-pentan-3-ylpiperazin-1-yl)quinoline.
What is the SMILES notation for 2-(4-pentan-3-ylpiperazin-1-yl)quinoline?
The canonical SMILES for 2-(4-pentan-3-ylpiperazin-1-yl)quinoline is CCC(CC)N1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 2-(4-pentan-3-ylpiperazin-1-yl)quinoline?
The InChIKey is FNSKLNDKQPXTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-16(4-2)20-11-13-21(14-12-20)18-10-9-15-7-5-6-8-17(15)19-18/h5-10,16H,3-4,11-14H2,1-2H3.
What are the key properties of 2-(4-pentan-3-ylpiperazin-1-yl)quinoline?
2-(4-pentan-3-ylpiperazin-1-yl)quinoline has a molecular weight of 283.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pentan-3-ylpiperazin-1-yl)quinoline is sourced from PubChem (CID 11314275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).