ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate

C19H16N2O4 — CID 705243

IUPACethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H16N2O4/c1-2-25-19(24)12-7-9-13(10-8-12)20-18(23)15-11-17(22)21-16-6-4-3-5-14(15)16/h3-11H,2H2,1H3,(H,20,23)(H,21,22)
InChIKeyHTAVGLZBGYINMH-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.96
Rot. Bonds4

About ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate

ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate (PubChem CID 705243) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate
PubChem CID705243
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Nameethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H16N2O4/c1-2-25-19(24)12-7-9-13(10-8-12)20-18(23)15-11-17(22)21-16-6-4-3-5-14(15)16/h3-11H,2H2,1H3,(H,20,23)(H,21,22)
InChIKeyHTAVGLZBGYINMH-UHFFFAOYSA-N
XLogP2.96
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate (CID 705243) is ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate?
The InChIKey is HTAVGLZBGYINMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-2-25-19(24)12-7-9-13(10-8-12)20-18(23)15-11-17(22)21-16-6-4-3-5-14(15)16/h3-11H,2H2,1H3,(H,20,23)(H,21,22).
What are the key properties of ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate?
ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate has a molecular weight of 336.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate is sourced from PubChem (CID 705243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).