2-phenyl-3-quinolin-4-ylpropanoic acid

C18H15NO2 — CID 79422879

IUPAC2-phenyl-3-quinolin-4-ylpropanoic acid
SMILESO=C(O)C(Cc1ccnc2ccccc12)c1ccccc1
InChIInChI=1S/C18H15NO2/c20-18(21)16(13-6-2-1-3-7-13)12-14-10-11-19-17-9-5-4-8-15(14)17/h1-11,16H,12H2,(H,20,21)
InChIKeyRNHGOGAJKGGKHD-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.65
Rot. Bonds4

About 2-phenyl-3-quinolin-4-ylpropanoic acid

2-phenyl-3-quinolin-4-ylpropanoic acid (PubChem CID 79422879) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-phenyl-3-quinolin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-phenyl-3-quinolin-4-ylpropanoic acid
PubChem CID79422879
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-phenyl-3-quinolin-4-ylpropanoic acid
SMILESO=C(O)C(Cc1ccnc2ccccc12)c1ccccc1
InChIInChI=1S/C18H15NO2/c20-18(21)16(13-6-2-1-3-7-13)12-14-10-11-19-17-9-5-4-8-15(14)17/h1-11,16H,12H2,(H,20,21)
InChIKeyRNHGOGAJKGGKHD-UHFFFAOYSA-N
XLogP3.65
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromo-2-phenylethyl)quinoline
CID 63202521
3-methoxy-3-oxo-2-(quinolin-4-ylmethyl)propanoic acid
CID 103973243
3-isoquinolin-4-yl-2-phenylpropanoic acid
CID 81008724
3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal
CID 19824915
quinolin-4-ylmethyl hydrogen carbonate
CID 154246402
3-(1H-indol-3-yl)-2-phenylpropanoic acid
CID 71683616
3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid
CID 20984694
(2S)-2-amino-3-(quinolin-4-ylmethylsulfanyl)propanoic acid
CID 107773149
4-(2-ethylbutyl)quinoline
CID 143495355
2-(2-carboxy-2-phenylethyl)benzoic acid
CID 67665092
(2S)-2,3-diphenylpropanoic acid
CID 737125
3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one
CID 116567063

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-quinolin-4-ylpropanoic acid?
The IUPAC name of 2-phenyl-3-quinolin-4-ylpropanoic acid (CID 79422879) is 2-phenyl-3-quinolin-4-ylpropanoic acid.
What is the SMILES notation for 2-phenyl-3-quinolin-4-ylpropanoic acid?
The canonical SMILES for 2-phenyl-3-quinolin-4-ylpropanoic acid is O=C(O)C(Cc1ccnc2ccccc12)c1ccccc1.
What is the InChIKey of 2-phenyl-3-quinolin-4-ylpropanoic acid?
The InChIKey is RNHGOGAJKGGKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-18(21)16(13-6-2-1-3-7-13)12-14-10-11-19-17-9-5-4-8-15(14)17/h1-11,16H,12H2,(H,20,21).
What are the key properties of 2-phenyl-3-quinolin-4-ylpropanoic acid?
2-phenyl-3-quinolin-4-ylpropanoic acid has a molecular weight of 277.32 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-quinolin-4-ylpropanoic acid is sourced from PubChem (CID 79422879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).