3-(4-methylphenyl)-2-oxo-1H-quinoline-4-carboxylic acid

C17H13NO3 — CID 1476800

IUPAC3-(4-methylphenyl)-2-oxo-1H-quinoline-4-carboxylic acid
SMILESCc1ccc(-c2c(C(=O)O)c3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C17H13NO3/c1-10-6-8-11(9-7-10)14-15(17(20)21)12-4-2-3-5-13(12)18-16(14)19/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeyYUGURCXDWBLOAU-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.20
Rot. Bonds2

About 3-(4-methylphenyl)-2-oxo-1H-quinoline-4-carboxylic acid

3-(4-methylphenyl)-2-oxo-1H-quinoline-4-carboxylic acid (PubChem CID 1476800) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-oxo-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-oxo-1H-quinoline-4-carboxylic acid
PubChem CID1476800
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name3-(4-methylphenyl)-2-oxo-1H-quinoline-4-carboxylic acid
SMILESCc1ccc(-c2c(C(=O)O)c3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C17H13NO3/c1-10-6-8-11(9-7-10)14-15(17(20)21)12-4-2-3-5-13(12)18-16(14)19/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeyYUGURCXDWBLOAU-UHFFFAOYSA-N
XLogP3.20
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-oxo-1H-quinoline-4-carboxylic acid?
The IUPAC name of 3-(4-methylphenyl)-2-oxo-1H-quinoline-4-carboxylic acid (CID 1476800) is 3-(4-methylphenyl)-2-oxo-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for 3-(4-methylphenyl)-2-oxo-1H-quinoline-4-carboxylic acid?
The canonical SMILES for 3-(4-methylphenyl)-2-oxo-1H-quinoline-4-carboxylic acid is Cc1ccc(-c2c(C(=O)O)c3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-oxo-1H-quinoline-4-carboxylic acid?
The InChIKey is YUGURCXDWBLOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-10-6-8-11(9-7-10)14-15(17(20)21)12-4-2-3-5-13(12)18-16(14)19/h2-9H,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-(4-methylphenyl)-2-oxo-1H-quinoline-4-carboxylic acid?
3-(4-methylphenyl)-2-oxo-1H-quinoline-4-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-oxo-1H-quinoline-4-carboxylic acid is sourced from PubChem (CID 1476800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).