3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-4-phenyl-1H-quinoline-6-carboxylic acid

C20H14N2O4 — CID 135497060

IUPAC3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-4-phenyl-1H-quinoline-6-carboxylic acid
SMILESCc1cc(-c2c(-c3ccccc3)c3cc(C(=O)O)ccc3[nH]c2=O)on1
InChIInChI=1S/C20H14N2O4/c1-11-9-16(26-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20(24)25)7-8-15(14)21-19(18)23/h2-10H,1H3,(H,21,23)(H,24,25)
InChIKeyOHYJCPDZXGBTBA-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.86
Rot. Bonds3

About 3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-4-phenyl-1H-quinoline-6-carboxylic acid

3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-4-phenyl-1H-quinoline-6-carboxylic acid (PubChem CID 135497060) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is 3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-4-phenyl-1H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-4-phenyl-1H-quinoline-6-carboxylic acid
PubChem CID135497060
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC Name3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-4-phenyl-1H-quinoline-6-carboxylic acid
SMILESCc1cc(-c2c(-c3ccccc3)c3cc(C(=O)O)ccc3[nH]c2=O)on1
InChIInChI=1S/C20H14N2O4/c1-11-9-16(26-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20(24)25)7-8-15(14)21-19(18)23/h2-10H,1H3,(H,21,23)(H,24,25)
InChIKeyOHYJCPDZXGBTBA-UHFFFAOYSA-N
XLogP3.86
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-4-phenyl-1H-quinoline-6-carboxylic acid?
The IUPAC name of 3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-4-phenyl-1H-quinoline-6-carboxylic acid (CID 135497060) is 3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-4-phenyl-1H-quinoline-6-carboxylic acid.
What is the SMILES notation for 3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-4-phenyl-1H-quinoline-6-carboxylic acid?
The canonical SMILES for 3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-4-phenyl-1H-quinoline-6-carboxylic acid is Cc1cc(-c2c(-c3ccccc3)c3cc(C(=O)O)ccc3[nH]c2=O)on1.
What is the InChIKey of 3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-4-phenyl-1H-quinoline-6-carboxylic acid?
The InChIKey is OHYJCPDZXGBTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c1-11-9-16(26-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20(24)25)7-8-15(14)21-19(18)23/h2-10H,1H3,(H,21,23)(H,24,25).
What are the key properties of 3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-4-phenyl-1H-quinoline-6-carboxylic acid?
3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-4-phenyl-1H-quinoline-6-carboxylic acid has a molecular weight of 346.34 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-4-phenyl-1H-quinoline-6-carboxylic acid is sourced from PubChem (CID 135497060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).