[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate

C19H16ClN3O5 — CID 2112473

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C1CN(C(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C19H16ClN3O5/c20-13-7-5-12(6-8-13)19(27)21-9-18(26)28-11-17(25)23-10-16(24)22-14-3-1-2-4-15(14)23/h1-8H,9-11H2,(H,21,27)(H,22,24)
InChIKeyUFUYTUBJDAFMLC-UHFFFAOYSA-N
MW401.81 g/mol
LogP1.60
Rot. Bonds5

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 2112473) has the molecular formula C19H16ClN3O5 and a molecular weight of 401.81 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID2112473
Molecular FormulaC19H16ClN3O5
Molecular Weight401.81 g/mol
Exact Mass401.08
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C1CN(C(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C19H16ClN3O5/c20-13-7-5-12(6-8-13)19(27)21-9-18(26)28-11-17(25)23-10-16(24)22-14-3-1-2-4-15(14)23/h1-8H,9-11H2,(H,21,27)(H,22,24)
InChIKeyUFUYTUBJDAFMLC-UHFFFAOYSA-N
XLogP1.60
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.81
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate (CID 2112473) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate is O=C1CN(C(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is UFUYTUBJDAFMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O5/c20-13-7-5-12(6-8-13)19(27)21-9-18(26)28-11-17(25)23-10-16(24)22-14-3-1-2-4-15(14)23/h1-8H,9-11H2,(H,21,27)(H,22,24).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 401.81 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 2112473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).