2-quinolin-5-ylpentanoic acid

C14H15NO2 — CID 83042751

IUPAC2-quinolin-5-ylpentanoic acid
SMILESCCCC(C(=O)O)c1cccc2ncccc12
InChIInChI=1S/C14H15NO2/c1-2-5-12(14(16)17)10-6-3-8-13-11(10)7-4-9-15-13/h3-4,6-9,12H,2,5H2,1H3,(H,16,17)
InChIKeyMRVBQQPSBXZEDX-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.20
Rot. Bonds4

About 2-quinolin-5-ylpentanoic acid

2-quinolin-5-ylpentanoic acid (PubChem CID 83042751) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-quinolin-5-ylpentanoic acid.

Molecular Properties

Compound Name2-quinolin-5-ylpentanoic acid
PubChem CID83042751
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-quinolin-5-ylpentanoic acid
SMILESCCCC(C(=O)O)c1cccc2ncccc12
InChIInChI=1S/C14H15NO2/c1-2-5-12(14(16)17)10-6-3-8-13-11(10)7-4-9-15-13/h3-4,6-9,12H,2,5H2,1H3,(H,16,17)
InChIKeyMRVBQQPSBXZEDX-UHFFFAOYSA-N
XLogP3.20
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-quinolin-5-ylpentan-1-ol
CID 81216641
(2R)-2-amino-2-quinolin-5-ylacetic acid
CID 39733719
2-phenyl-1-quinolin-5-ylbutan-1-one
CID 115789663
(1R)-1-quinolin-5-ylethanol
CID 86326294
3-quinolin-4-ylpentan-2-one
CID 63196425
2-(3-fluoro-2-pyridinyl)pentanoic acid
CID 104571993
CID 158967293
CID 158967293
2-[10-(1-carboxybutyl)anthracen-9-yl]pentanoic acid
CID 151443637
2-naphthalen-1-yldodecanoic acid
CID 23333439
1-quinolin-5-ylpentylhydrazine
CID 105245773
3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one
CID 116567063
N-propyl-3-quinolin-5-ylbutan-1-amine
CID 81223447

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-5-ylpentanoic acid?
The IUPAC name of 2-quinolin-5-ylpentanoic acid (CID 83042751) is 2-quinolin-5-ylpentanoic acid.
What is the SMILES notation for 2-quinolin-5-ylpentanoic acid?
The canonical SMILES for 2-quinolin-5-ylpentanoic acid is CCCC(C(=O)O)c1cccc2ncccc12.
What is the InChIKey of 2-quinolin-5-ylpentanoic acid?
The InChIKey is MRVBQQPSBXZEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-5-12(14(16)17)10-6-3-8-13-11(10)7-4-9-15-13/h3-4,6-9,12H,2,5H2,1H3,(H,16,17).
What are the key properties of 2-quinolin-5-ylpentanoic acid?
2-quinolin-5-ylpentanoic acid has a molecular weight of 229.28 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-5-ylpentanoic acid is sourced from PubChem (CID 83042751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).