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

C20H18N2O4 — CID 2091499

IUPACpropyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C20H18N2O4/c1-2-11-26-20(25)13-7-9-14(10-8-13)21-19(24)16-12-18(23)22-17-6-4-3-5-15(16)17/h3-10,12H,2,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyFICMEOXHWREMNP-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.35
Rot. Bonds5

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

propyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate (PubChem CID 2091499) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is propyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate
PubChem CID2091499
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Namepropyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C20H18N2O4/c1-2-11-26-20(25)13-7-9-14(10-8-13)21-19(24)16-12-18(23)22-17-6-4-3-5-15(16)17/h3-10,12H,2,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyFICMEOXHWREMNP-UHFFFAOYSA-N
XLogP3.35
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze propyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate 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 propyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate?
The IUPAC name of propyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate (CID 2091499) is propyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate?
The canonical SMILES for propyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of propyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate?
The InChIKey is FICMEOXHWREMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-2-11-26-20(25)13-7-9-14(10-8-13)21-19(24)16-12-18(23)22-17-6-4-3-5-15(16)17/h3-10,12H,2,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of propyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate?
propyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate has a molecular weight of 350.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate is sourced from PubChem (CID 2091499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).