[2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate

C20H18N2O4 — CID 2358098

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NCCc1ccccc1
InChIInChI=1S/C20H18N2O4/c23-18-12-16(15-8-4-5-9-17(15)22-18)20(25)26-13-19(24)21-11-10-14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H,21,24)(H,22,23)
InChIKeyDEJJWWRPYCCZAC-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.04
Rot. Bonds6

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2358098) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2358098
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NCCc1ccccc1
InChIInChI=1S/C20H18N2O4/c23-18-12-16(15-8-4-5-9-17(15)22-18)20(25)26-13-19(24)21-11-10-14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H,21,24)(H,22,23)
InChIKeyDEJJWWRPYCCZAC-UHFFFAOYSA-N
XLogP2.04
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 2358098) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate is O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is DEJJWWRPYCCZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-18-12-16(15-8-4-5-9-17(15)22-18)20(25)26-13-19(24)21-11-10-14-6-2-1-3-7-14/h1-9,12H,10-11,13H2,(H,21,24)(H,22,23).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2358098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).