2-(2-oxo-4-phenylquinolin-1-yl)acetic acid

C17H13NO3 — CID 13180338

IUPAC2-(2-oxo-4-phenylquinolin-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)cc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C17H13NO3/c19-16-10-14(12-6-2-1-3-7-12)13-8-4-5-9-15(13)18(16)11-17(20)21/h1-10H,11H2,(H,20,21)
InChIKeyHAAQCXYLQYXKAH-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.75
Rot. Bonds3

About 2-(2-oxo-4-phenylquinolin-1-yl)acetic acid

2-(2-oxo-4-phenylquinolin-1-yl)acetic acid (PubChem CID 13180338) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(2-oxo-4-phenylquinolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-4-phenylquinolin-1-yl)acetic acid
PubChem CID13180338
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-(2-oxo-4-phenylquinolin-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)cc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C17H13NO3/c19-16-10-14(12-6-2-1-3-7-12)13-8-4-5-9-15(13)18(16)11-17(20)21/h1-10H,11H2,(H,20,21)
InChIKeyHAAQCXYLQYXKAH-UHFFFAOYSA-N
XLogP2.75
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-phenylquinolin-1-yl)acetic acid?
The IUPAC name of 2-(2-oxo-4-phenylquinolin-1-yl)acetic acid (CID 13180338) is 2-(2-oxo-4-phenylquinolin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-4-phenylquinolin-1-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-4-phenylquinolin-1-yl)acetic acid is O=C(O)Cn1c(=O)cc(-c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(2-oxo-4-phenylquinolin-1-yl)acetic acid?
The InChIKey is HAAQCXYLQYXKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-16-10-14(12-6-2-1-3-7-12)13-8-4-5-9-15(13)18(16)11-17(20)21/h1-10H,11H2,(H,20,21).
What are the key properties of 2-(2-oxo-4-phenylquinolin-1-yl)acetic acid?
2-(2-oxo-4-phenylquinolin-1-yl)acetic acid has a molecular weight of 279.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-phenylquinolin-1-yl)acetic acid is sourced from PubChem (CID 13180338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).