[2-oxo-2-(2-phenylethylamino)ethyl] 2-methylquinoline-4-carboxylate

C21H20N2O3 — CID 5244001

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NCCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H20N2O3/c1-15-13-18(17-9-5-6-10-19(17)23-15)21(25)26-14-20(24)22-12-11-16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3,(H,22,24)
InChIKeyCATQVUZIUFKWEZ-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.06
Rot. Bonds6

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-methylquinoline-4-carboxylate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-methylquinoline-4-carboxylate (PubChem CID 5244001) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-methylquinoline-4-carboxylate
PubChem CID5244001
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NCCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H20N2O3/c1-15-13-18(17-9-5-6-10-19(17)23-15)21(25)26-14-20(24)22-12-11-16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3,(H,22,24)
InChIKeyCATQVUZIUFKWEZ-UHFFFAOYSA-N
XLogP3.06
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-methylquinoline-4-carboxylate (CID 5244001) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-methylquinoline-4-carboxylate is Cc1cc(C(=O)OCC(=O)NCCc2ccccc2)c2ccccc2n1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is CATQVUZIUFKWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-15-13-18(17-9-5-6-10-19(17)23-15)21(25)26-14-20(24)22-12-11-16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3,(H,22,24).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-methylquinoline-4-carboxylate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 5244001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).