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

C19H17N5O3 — CID 53170868

IUPACN-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2nnn3c2c(=O)[nH]c2cc(C)ccc23)cc1
InChIInChI=1S/C19H17N5O3/c1-11-3-8-15-14(9-11)21-19(26)17-16(22-23-24(15)17)18(25)20-10-12-4-6-13(27-2)7-5-12/h3-9H,10H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyBRVODFRFXJYUOR-UHFFFAOYSA-N
MW363.38 g/mol
LogP1.82
Rot. Bonds4

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

N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (PubChem CID 53170868) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
PubChem CID53170868
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2nnn3c2c(=O)[nH]c2cc(C)ccc23)cc1
InChIInChI=1S/C19H17N5O3/c1-11-3-8-15-14(9-11)21-19(26)17-16(22-23-24(15)17)18(25)20-10-12-4-6-13(27-2)7-5-12/h3-9H,10H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyBRVODFRFXJYUOR-UHFFFAOYSA-N
XLogP1.82
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-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-[(2,4-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170857
N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide
CID 91891370
N-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111468
1-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111176
4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 54684670
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
N-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide
CID 91891366
4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170903
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
CID 62510796
3,5-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666082
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (CID 53170868) is N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is COc1ccc(CNC(=O)c2nnn3c2c(=O)[nH]c2cc(C)ccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The InChIKey is BRVODFRFXJYUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-11-3-8-15-14(9-11)21-19(26)17-16(22-23-24(15)17)18(25)20-10-12-4-6-13(27-2)7-5-12/h3-9H,10H2,1-2H3,(H,20,25)(H,21,26).
What are the key properties of N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 53170868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).