7-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]quinoxaline-3-carboxamide

C20H19N5O2 — CID 53170844

IUPAC7-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESCc1ccc2c(c1)[nH]c(=O)c1c(C(=O)NCC(C)c3ccccc3)nnn12
InChIInChI=1S/C20H19N5O2/c1-12-8-9-16-15(10-12)22-20(27)18-17(23-24-25(16)18)19(26)21-11-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyIOTVHLFSWXBGPP-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.41
Rot. Bonds4

About 7-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]quinoxaline-3-carboxamide

7-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (PubChem CID 53170844) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 7-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name7-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
PubChem CID53170844
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name7-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESCc1ccc2c(c1)[nH]c(=O)c1c(C(=O)NCC(C)c3ccccc3)nnn12
InChIInChI=1S/C20H19N5O2/c1-12-8-9-16-15(10-12)22-20(27)18-17(23-24-25(16)18)19(26)21-11-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyIOTVHLFSWXBGPP-UHFFFAOYSA-N
XLogP2.41
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]quinoxaline-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170868
N-[(2,4-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170857
4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170903
2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide
CID 26778990
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
2-hydroxy-4-methyl-N-(2-phenylpropyl)benzamide
CID 47098893
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylpropyl)acetamide
CID 16524013
4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide
CID 9070861
5-amino-1-(3-chlorophenyl)-N-[(2S)-2-phenylpropyl]triazole-4-carboxamide
CID 41118456
5-amino-1-(4-methoxyphenyl)-N-[(2R)-2-phenylpropyl]triazole-4-carboxamide
CID 41091338
1,3-dimethyl-2-oxo-N-[(2S)-2-phenylpropyl]quinoxaline-6-carboxamide
CID 95065720
N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
CID 93240510

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The IUPAC name of 7-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (CID 53170844) is 7-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.
What is the SMILES notation for 7-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The canonical SMILES for 7-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is Cc1ccc2c(c1)[nH]c(=O)c1c(C(=O)NCC(C)c3ccccc3)nnn12.
What is the InChIKey of 7-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The InChIKey is IOTVHLFSWXBGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12-8-9-16-15(10-12)22-20(27)18-17(23-24-25(16)18)19(26)21-11-13(2)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of 7-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
7-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]quinoxaline-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 53170844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).