4-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-2H-quinoxaline-1-carboxamide

C25H23FN4O3 — CID 53091025

IUPAC4-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-2H-quinoxaline-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)CN1C(=O)CN(C(=O)Nc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C25H23FN4O3/c1-28(15-18-7-3-2-4-8-18)23(31)16-29-21-9-5-6-10-22(21)30(17-24(29)32)25(33)27-20-13-11-19(26)12-14-20/h2-14H,15-17H2,1H3,(H,27,33)
InChIKeyIXHNTMBTLIRYCD-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.87
Rot. Bonds5

About 4-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-2H-quinoxaline-1-carboxamide

4-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-2H-quinoxaline-1-carboxamide (PubChem CID 53091025) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is 4-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-2H-quinoxaline-1-carboxamide.

Molecular Properties

Compound Name4-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-2H-quinoxaline-1-carboxamide
PubChem CID53091025
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name4-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-2H-quinoxaline-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)CN1C(=O)CN(C(=O)Nc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C25H23FN4O3/c1-28(15-18-7-3-2-4-8-18)23(31)16-29-21-9-5-6-10-22(21)30(17-24(29)32)25(33)27-20-13-11-19(26)12-14-20/h2-14H,15-17H2,1H3,(H,27,33)
InChIKeyIXHNTMBTLIRYCD-UHFFFAOYSA-N
XLogP3.87
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-2H-quinoxaline-1-carboxamide?
The IUPAC name of 4-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-2H-quinoxaline-1-carboxamide (CID 53091025) is 4-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-2H-quinoxaline-1-carboxamide.
What is the SMILES notation for 4-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-2H-quinoxaline-1-carboxamide?
The canonical SMILES for 4-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-2H-quinoxaline-1-carboxamide is CN(Cc1ccccc1)C(=O)CN1C(=O)CN(C(=O)Nc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 4-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-2H-quinoxaline-1-carboxamide?
The InChIKey is IXHNTMBTLIRYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-28(15-18-7-3-2-4-8-18)23(31)16-29-21-9-5-6-10-22(21)30(17-24(29)32)25(33)27-20-13-11-19(26)12-14-20/h2-14H,15-17H2,1H3,(H,27,33).
What are the key properties of 4-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-2H-quinoxaline-1-carboxamide?
4-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-2H-quinoxaline-1-carboxamide has a molecular weight of 446.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[benzyl(methyl)amino]-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 53091025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).