[2-(4-methylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

C19H15NO4 — CID 955509

IUPAC[2-(4-methylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCc1ccc(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H15NO4/c1-12-6-8-13(9-7-12)17(21)11-24-19(23)15-10-18(22)20-16-5-3-2-4-14(15)16/h2-10H,11H2,1H3,(H,20,22)
InChIKeyIOQFUVOSIWJDOG-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.88
Rot. Bonds4

About [2-(4-methylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

[2-(4-methylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 955509) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID955509
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name[2-(4-methylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCc1ccc(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H15NO4/c1-12-6-8-13(9-7-12)17(21)11-24-19(23)15-10-18(22)20-16-5-3-2-4-14(15)16/h2-10H,11H2,1H3,(H,20,22)
InChIKeyIOQFUVOSIWJDOG-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 955509) is [2-(4-methylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is Cc1ccc(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is IOQFUVOSIWJDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-12-6-8-13(9-7-12)17(21)11-24-19(23)15-10-18(22)20-16-5-3-2-4-14(15)16/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of [2-(4-methylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-(4-methylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 955509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).