2-(1-methyl-4-oxoquinolin-3-yl)benzoic acid

C17H13NO3 — CID 3339973

IUPAC2-(1-methyl-4-oxoquinolin-3-yl)benzoic acid
SMILESCn1cc(-c2ccccc2C(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C17H13NO3/c1-18-10-14(11-6-2-3-7-12(11)17(20)21)16(19)13-8-4-5-9-15(13)18/h2-10H,1H3,(H,20,21)
InChIKeyWEFLANDBXLRUSP-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.90
Rot. Bonds2

About 2-(1-methyl-4-oxoquinolin-3-yl)benzoic acid

2-(1-methyl-4-oxoquinolin-3-yl)benzoic acid (PubChem CID 3339973) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(1-methyl-4-oxoquinolin-3-yl)benzoic acid.

Molecular Properties

Compound Name2-(1-methyl-4-oxoquinolin-3-yl)benzoic acid
PubChem CID3339973
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-(1-methyl-4-oxoquinolin-3-yl)benzoic acid
SMILESCn1cc(-c2ccccc2C(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C17H13NO3/c1-18-10-14(11-6-2-3-7-12(11)17(20)21)16(19)13-8-4-5-9-15(13)18/h2-10H,1H3,(H,20,21)
InChIKeyWEFLANDBXLRUSP-UHFFFAOYSA-N
XLogP2.90
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4-oxoquinolin-3-yl)benzoic acid?
The IUPAC name of 2-(1-methyl-4-oxoquinolin-3-yl)benzoic acid (CID 3339973) is 2-(1-methyl-4-oxoquinolin-3-yl)benzoic acid.
What is the SMILES notation for 2-(1-methyl-4-oxoquinolin-3-yl)benzoic acid?
The canonical SMILES for 2-(1-methyl-4-oxoquinolin-3-yl)benzoic acid is Cn1cc(-c2ccccc2C(=O)O)c(=O)c2ccccc21.
What is the InChIKey of 2-(1-methyl-4-oxoquinolin-3-yl)benzoic acid?
The InChIKey is WEFLANDBXLRUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-18-10-14(11-6-2-3-7-12(11)17(20)21)16(19)13-8-4-5-9-15(13)18/h2-10H,1H3,(H,20,21).
What are the key properties of 2-(1-methyl-4-oxoquinolin-3-yl)benzoic acid?
2-(1-methyl-4-oxoquinolin-3-yl)benzoic acid has a molecular weight of 279.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4-oxoquinolin-3-yl)benzoic acid is sourced from PubChem (CID 3339973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).