[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-oxo-1H-quinoline-4-carboxylate

C21H15N3O4S — CID 2371424

IUPAC[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H15N3O4S/c25-18-10-15(14-8-4-5-9-16(14)22-18)20(27)28-11-19(26)24-21-23-17(12-29-21)13-6-2-1-3-7-13/h1-10,12H,11H2,(H,22,25)(H,23,24,26)
InChIKeyQTDYZFRRVQATQA-UHFFFAOYSA-N
MW405.44 g/mol
LogP3.45
Rot. Bonds5

About [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-oxo-1H-quinoline-4-carboxylate

[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2371424) has the molecular formula C21H15N3O4S and a molecular weight of 405.44 g/mol. Its IUPAC name is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2371424
Molecular FormulaC21H15N3O4S
Molecular Weight405.44 g/mol
Exact Mass405.08
IUPAC Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C21H15N3O4S/c25-18-10-15(14-8-4-5-9-16(14)22-18)20(27)28-11-19(26)24-21-23-17(12-29-21)13-6-2-1-3-7-13/h1-10,12H,11H2,(H,22,25)(H,23,24,26)
InChIKeyQTDYZFRRVQATQA-UHFFFAOYSA-N
XLogP3.45
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 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 [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 2371424) is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-oxo-1H-quinoline-4-carboxylate is O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is QTDYZFRRVQATQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4S/c25-18-10-15(14-8-4-5-9-16(14)22-18)20(27)28-11-19(26)24-21-23-17(12-29-21)13-6-2-1-3-7-13/h1-10,12H,11H2,(H,22,25)(H,23,24,26).
What are the key properties of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 405.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2371424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).