(1-oxo-1-phenylpropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate

C19H15NO4 — CID 3158538

IUPAC(1-oxo-1-phenylpropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate
SMILESCC(OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)c1ccccc1
InChIInChI=1S/C19H15NO4/c1-12(18(22)13-7-3-2-4-8-13)24-19(23)15-11-17(21)20-16-10-6-5-9-14(15)16/h2-12H,1H3,(H,20,21)
InChIKeyZQSPCOOHJGNOAA-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.96
Rot. Bonds4

About (1-oxo-1-phenylpropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate

(1-oxo-1-phenylpropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 3158538) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate
PubChem CID3158538
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate
SMILESCC(OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)c1ccccc1
InChIInChI=1S/C19H15NO4/c1-12(18(22)13-7-3-2-4-8-13)24-19(23)15-11-17(21)20-16-10-6-5-9-14(15)16/h2-12H,1H3,(H,20,21)
InChIKeyZQSPCOOHJGNOAA-UHFFFAOYSA-N
XLogP2.96
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-oxo-1-phenylpropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate (CID 3158538) is (1-oxo-1-phenylpropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate is CC(OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is ZQSPCOOHJGNOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-12(18(22)13-7-3-2-4-8-13)24-19(23)15-11-17(21)20-16-10-6-5-9-14(15)16/h2-12H,1H3,(H,20,21).
What are the key properties of (1-oxo-1-phenylpropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate?
(1-oxo-1-phenylpropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 3158538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).