N-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide

C29H21N5O2 — CID 11641365

IUPACN-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide
SMILESO=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H21N5O2/c35-28(25(20-12-4-1-5-13-20)21-14-6-2-7-15-21)31-26-27-32-34(22-16-8-3-9-17-22)29(36)33(27)24-19-11-10-18-23(24)30-26/h1-19,25H,(H,30,31,35)
InChIKeyLIKNBEXRGCISBC-UHFFFAOYSA-N
MW471.52 g/mol
LogP4.80
Rot. Bonds5

About N-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide

N-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide (PubChem CID 11641365) has the molecular formula C29H21N5O2 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide
PubChem CID11641365
Molecular FormulaC29H21N5O2
Molecular Weight471.52 g/mol
Exact Mass471.17
IUPAC NameN-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide
SMILESO=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H21N5O2/c35-28(25(20-12-4-1-5-13-20)21-14-6-2-7-15-21)31-26-27-32-34(22-16-8-3-9-17-22)29(36)33(27)24-19-11-10-18-23(24)30-26/h1-19,25H,(H,30,31,35)
InChIKeyLIKNBEXRGCISBC-UHFFFAOYSA-N
XLogP4.80
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide?
The IUPAC name of N-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide (CID 11641365) is N-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide?
The canonical SMILES for N-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide is O=C(Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide?
The InChIKey is LIKNBEXRGCISBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N5O2/c35-28(25(20-12-4-1-5-13-20)21-14-6-2-7-15-21)31-26-27-32-34(22-16-8-3-9-17-22)29(36)33(27)24-19-11-10-18-23(24)30-26/h1-19,25H,(H,30,31,35).
What are the key properties of N-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide?
N-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide has a molecular weight of 471.52 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-2,2-diphenylacetamide is sourced from PubChem (CID 11641365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).