[2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate

C24H17ClN2O3 — CID 55730349

IUPAC[2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate
SMILESO=C(COC(=O)c1ccc2nc(Cl)ccc2c1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H17ClN2O3/c25-22-13-11-17-14-18(10-12-20(17)26-22)24(29)30-15-23(28)27-21-9-5-4-8-19(21)16-6-2-1-3-7-16/h1-14H,15H2,(H,27,28)
InChIKeyLEKHJHIQRXWMFC-UHFFFAOYSA-N
MW416.86 g/mol
LogP5.35
Rot. Bonds5

About [2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate

[2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate (PubChem CID 55730349) has the molecular formula C24H17ClN2O3 and a molecular weight of 416.86 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate
PubChem CID55730349
Molecular FormulaC24H17ClN2O3
Molecular Weight416.86 g/mol
Exact Mass416.09
IUPAC Name[2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate
SMILESO=C(COC(=O)c1ccc2nc(Cl)ccc2c1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H17ClN2O3/c25-22-13-11-17-14-18(10-12-20(17)26-22)24(29)30-15-23(28)27-21-9-5-4-8-19(21)16-6-2-1-3-7-16/h1-14H,15H2,(H,27,28)
InChIKeyLEKHJHIQRXWMFC-UHFFFAOYSA-N
XLogP5.35
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.86
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998914
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55730259
[2-oxo-2-(2-phenylanilino)ethyl] 3-phenoxybenzoate
CID 16521982
[2-(4-ethylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55730169
[2-oxo-2-(2-phenylanilino)ethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 4001709
[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55999729
[2-(dicyclopropylmethylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998119
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998640
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998781
[2-oxo-2-(2-phenylanilino)ethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 8791870
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55730099
[2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate
CID 30031920

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate (CID 55730349) is [2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate is O=C(COC(=O)c1ccc2nc(Cl)ccc2c1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate?
The InChIKey is LEKHJHIQRXWMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O3/c25-22-13-11-17-14-18(10-12-20(17)26-22)24(29)30-15-23(28)27-21-9-5-4-8-19(21)16-6-2-1-3-7-16/h1-14H,15H2,(H,27,28).
What are the key properties of [2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate?
[2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate has a molecular weight of 416.86 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate is sourced from PubChem (CID 55730349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).