3-(3-quinolin-8-ylphenyl)butanoic acid

C19H17NO2 — CID 82543049

IUPAC3-(3-quinolin-8-ylphenyl)butanoic acid
SMILESCC(CC(=O)O)c1cccc(-c2cccc3cccnc23)c1
InChIInChI=1S/C19H17NO2/c1-13(11-18(21)22)15-6-2-7-16(12-15)17-9-3-5-14-8-4-10-20-19(14)17/h2-10,12-13H,11H2,1H3,(H,21,22)
InChIKeyOCKAUMHANGKMJH-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.48
Rot. Bonds4

About 3-(3-quinolin-8-ylphenyl)butanoic acid

3-(3-quinolin-8-ylphenyl)butanoic acid (PubChem CID 82543049) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-(3-quinolin-8-ylphenyl)butanoic acid.

Molecular Properties

Compound Name3-(3-quinolin-8-ylphenyl)butanoic acid
PubChem CID82543049
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name3-(3-quinolin-8-ylphenyl)butanoic acid
SMILESCC(CC(=O)O)c1cccc(-c2cccc3cccnc23)c1
InChIInChI=1S/C19H17NO2/c1-13(11-18(21)22)15-6-2-7-16(12-15)17-9-3-5-14-8-4-10-20-19(14)17/h2-10,12-13H,11H2,1H3,(H,21,22)
InChIKeyOCKAUMHANGKMJH-UHFFFAOYSA-N
XLogP4.48
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methyl-4-quinolin-8-yl-1,3-thiazol-5-yl)butanoic acid
CID 110447443
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
3-[3-(3-methylphenyl)phenyl]butanoic acid
CID 82543319
methyl 3-quinolin-8-ylbenzoate
CID 4189037
mercury;8-phenylquinoline;hydrate
CID 174770535
8-[3-[(3Z)-1-(4-chlorophenyl)-3-ethenylhexa-3,5-dienyl]phenyl]quinoline;methoxymethane
CID 142200028
3-(3-chlorophenyl)butanoic acid
CID 71683749
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
3-[3-(fluoromethyl)phenyl]butanoic acid
CID 84666853
3-amino-3-quinolin-8-ylpropanoic acid
CID 53441937
8-[3-(3-iodophenyl)phenyl]quinoline
CID 134445646

Frequently Asked Questions

What is the IUPAC name of 3-(3-quinolin-8-ylphenyl)butanoic acid?
The IUPAC name of 3-(3-quinolin-8-ylphenyl)butanoic acid (CID 82543049) is 3-(3-quinolin-8-ylphenyl)butanoic acid.
What is the SMILES notation for 3-(3-quinolin-8-ylphenyl)butanoic acid?
The canonical SMILES for 3-(3-quinolin-8-ylphenyl)butanoic acid is CC(CC(=O)O)c1cccc(-c2cccc3cccnc23)c1.
What is the InChIKey of 3-(3-quinolin-8-ylphenyl)butanoic acid?
The InChIKey is OCKAUMHANGKMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-13(11-18(21)22)15-6-2-7-16(12-15)17-9-3-5-14-8-4-10-20-19(14)17/h2-10,12-13H,11H2,1H3,(H,21,22).
What are the key properties of 3-(3-quinolin-8-ylphenyl)butanoic acid?
3-(3-quinolin-8-ylphenyl)butanoic acid has a molecular weight of 291.35 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-quinolin-8-ylphenyl)butanoic acid is sourced from PubChem (CID 82543049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).