[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dimethylbenzoate

C19H18N2O4 — CID 2571980

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1C
InChIInChI=1S/C19H18N2O4/c1-12-6-5-7-14(13(12)2)19(24)25-11-18(23)21-10-17(22)20-15-8-3-4-9-16(15)21/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyRYJRIZBSHPXNKS-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.45
Rot. Bonds3

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dimethylbenzoate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dimethylbenzoate (PubChem CID 2571980) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dimethylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dimethylbenzoate
PubChem CID2571980
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1C
InChIInChI=1S/C19H18N2O4/c1-12-6-5-7-14(13(12)2)19(24)25-11-18(23)21-10-17(22)20-15-8-3-4-9-16(15)21/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyRYJRIZBSHPXNKS-UHFFFAOYSA-N
XLogP2.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dimethylbenzoate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dimethylbenzoate (CID 2571980) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dimethylbenzoate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dimethylbenzoate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dimethylbenzoate is Cc1cccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1C.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dimethylbenzoate?
The InChIKey is RYJRIZBSHPXNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12-6-5-7-14(13(12)2)19(24)25-11-18(23)21-10-17(22)20-15-8-3-4-9-16(15)21/h3-9H,10-11H2,1-2H3,(H,20,22).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dimethylbenzoate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dimethylbenzoate has a molecular weight of 338.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dimethylbenzoate is sourced from PubChem (CID 2571980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).