N-benzoyl-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide

C30H21N5O4 — CID 11533636

IUPACN-benzoyl-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide
SMILESCOc1ccc(-n2nc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C30H21N5O4/c1-39-23-18-16-22(17-19-23)35-30(38)33-25-15-9-8-14-24(25)31-26(27(33)32-35)34(28(36)20-10-4-2-5-11-20)29(37)21-12-6-3-7-13-21/h2-19H,1H3
InChIKeyGTRCYAYRRCMTDF-UHFFFAOYSA-N
MW515.53 g/mol
LogP4.53
Rot. Bonds5

About N-benzoyl-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide

N-benzoyl-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide (PubChem CID 11533636) has the molecular formula C30H21N5O4 and a molecular weight of 515.53 g/mol. Its IUPAC name is N-benzoyl-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide.

Molecular Properties

Compound NameN-benzoyl-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide
PubChem CID11533636
Molecular FormulaC30H21N5O4
Molecular Weight515.53 g/mol
Exact Mass515.16
IUPAC NameN-benzoyl-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide
SMILESCOc1ccc(-n2nc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C30H21N5O4/c1-39-23-18-16-22(17-19-23)35-30(38)33-25-15-9-8-14-24(25)31-26(27(33)32-35)34(28(36)20-10-4-2-5-11-20)29(37)21-12-6-3-7-13-21/h2-19H,1H3
InChIKeyGTRCYAYRRCMTDF-UHFFFAOYSA-N
XLogP4.53
TPSA98.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.53
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-benzoyl-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide 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 N-benzoyl-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide?
The IUPAC name of N-benzoyl-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide (CID 11533636) is N-benzoyl-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide.
What is the SMILES notation for N-benzoyl-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide?
The canonical SMILES for N-benzoyl-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide is COc1ccc(-n2nc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1.
What is the InChIKey of N-benzoyl-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide?
The InChIKey is GTRCYAYRRCMTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N5O4/c1-39-23-18-16-22(17-19-23)35-30(38)33-25-15-9-8-14-24(25)31-26(27(33)32-35)34(28(36)20-10-4-2-5-11-20)29(37)21-12-6-3-7-13-21/h2-19H,1H3.
What are the key properties of N-benzoyl-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide?
N-benzoyl-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide has a molecular weight of 515.53 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]benzamide is sourced from PubChem (CID 11533636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).