3-(4-phenylpentyl)quinoline

C20H21N — CID 158257527

IUPAC3-(4-phenylpentyl)quinoline
SMILESCC(CCCc1cnc2ccccc2c1)c1ccccc1
InChIInChI=1S/C20H21N/c1-16(18-10-3-2-4-11-18)8-7-9-17-14-19-12-5-6-13-20(19)21-15-17/h2-6,10-16H,7-9H2,1H3
InChIKeyGHLSNXVSECUPEK-UHFFFAOYSA-N
MW275.40 g/mol
LogP5.36
Rot. Bonds5

About 3-(4-phenylpentyl)quinoline

3-(4-phenylpentyl)quinoline (PubChem CID 158257527) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(4-phenylpentyl)quinoline.

Molecular Properties

Compound Name3-(4-phenylpentyl)quinoline
PubChem CID158257527
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name3-(4-phenylpentyl)quinoline
SMILESCC(CCCc1cnc2ccccc2c1)c1ccccc1
InChIInChI=1S/C20H21N/c1-16(18-10-3-2-4-11-18)8-7-9-17-14-19-12-5-6-13-20(19)21-15-17/h2-6,10-16H,7-9H2,1H3
InChIKeyGHLSNXVSECUPEK-UHFFFAOYSA-N
XLogP5.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.40
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057
3-(3-chloro-4-methylpentyl)quinoline
CID 64508881
3-(2-methylpropyl)quinoline
CID 12072851
3-(7-propan-2-ylsulfonylheptyl)quinoline
CID 158614787
3-(3-ethoxypropyl)quinoline
CID 91801315
O-(3-quinolin-3-ylpropyl)hydroxylamine
CID 54489779
2-quinolin-3-ylethanol
CID 53403774
2-methyl-N-(2-quinolin-3-ylethyl)propan-1-amine
CID 62603664
2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine
CID 64506111
3-(3-chloro-4,4-dimethylpentyl)quinoline
CID 64507771
3-(3-bromo-4,4-dimethylpentyl)quinoline
CID 64506762
5-decyl-2-[4-(4-phenylpentyl)phenyl]pyrimidine
CID 23361519

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylpentyl)quinoline?
The IUPAC name of 3-(4-phenylpentyl)quinoline (CID 158257527) is 3-(4-phenylpentyl)quinoline.
What is the SMILES notation for 3-(4-phenylpentyl)quinoline?
The canonical SMILES for 3-(4-phenylpentyl)quinoline is CC(CCCc1cnc2ccccc2c1)c1ccccc1.
What is the InChIKey of 3-(4-phenylpentyl)quinoline?
The InChIKey is GHLSNXVSECUPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-16(18-10-3-2-4-11-18)8-7-9-17-14-19-12-5-6-13-20(19)21-15-17/h2-6,10-16H,7-9H2,1H3.
What are the key properties of 3-(4-phenylpentyl)quinoline?
3-(4-phenylpentyl)quinoline has a molecular weight of 275.40 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylpentyl)quinoline is sourced from PubChem (CID 158257527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).