[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate

C22H20N4O4 — CID 2999390

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C22H20N4O4/c1-14-21(15(2)26(24-14)16-8-4-3-5-9-16)22(29)30-13-20(28)25-12-19(27)23-17-10-6-7-11-18(17)25/h3-11H,12-13H2,1-2H3,(H,23,27)
InChIKeyADAPVAKTBMKFAW-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.63
Rot. Bonds4

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate (PubChem CID 2999390) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
PubChem CID2999390
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C22H20N4O4/c1-14-21(15(2)26(24-14)16-8-4-3-5-9-16)22(29)30-13-20(28)25-12-19(27)23-17-10-6-7-11-18(17)25/h3-11H,12-13H2,1-2H3,(H,23,27)
InChIKeyADAPVAKTBMKFAW-UHFFFAOYSA-N
XLogP2.63
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate (CID 2999390) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate is Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate?
The InChIKey is ADAPVAKTBMKFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-14-21(15(2)26(24-14)16-8-4-3-5-9-16)22(29)30-13-20(28)25-12-19(27)23-17-10-6-7-11-18(17)25/h3-11H,12-13H2,1-2H3,(H,23,27).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate has a molecular weight of 404.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 2999390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).