N-benzyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

C24H19N5O — CID 71153223

IUPACN-benzyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3ccccc3)cc2n2c(-c3ccccc3)nnc12
InChIInChI=1S/C24H19N5O/c1-16-22-27-28-23(18-10-6-3-7-11-18)29(22)21-14-19(12-13-20(21)26-16)24(30)25-15-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,25,30)
InChIKeyHIUJNBXYERGONS-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.18
Rot. Bonds4

About N-benzyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

N-benzyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (PubChem CID 71153223) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is N-benzyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
PubChem CID71153223
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC NameN-benzyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3ccccc3)cc2n2c(-c3ccccc3)nnc12
InChIInChI=1S/C24H19N5O/c1-16-22-27-28-23(18-10-6-3-7-11-18)29(22)21-14-19(12-13-20(21)26-16)24(30)25-15-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,25,30)
InChIKeyHIUJNBXYERGONS-UHFFFAOYSA-N
XLogP4.18
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
CID 3243760
2-[6-(diethylamino)pyridin-3-yl]-1-[(1-ethyl-1H-pyrazol-3-yl)methyl]-N-methyl-1H-1,3-benzodiazole-5-carboxamide
CID 138466007
N-(1-adamantyl)-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 137349269
Morpholin-4-Yl[4-(Tetrazolo[1,5-A]quinoxalin-4-Ylamino)phenyl]methanone
CID 22432631
1-(2-chlorophenyl)-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153303
N-benzyl-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71152297
1-(2,6-dichlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153238
1-(2-chlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153309
1-(2-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153321
1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153330
4-Amino-3-{6-[(4-methylpiperazinyl)carbonyl]benzimidazol-2-yl}hydroquinolin-2-one
CID 135674144
1-[3-([1,2,4]Triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]ethanone
CID 5295760

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The IUPAC name of N-benzyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (CID 71153223) is N-benzyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is Cc1nc2ccc(C(=O)NCc3ccccc3)cc2n2c(-c3ccccc3)nnc12.
What is the InChIKey of N-benzyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The InChIKey is HIUJNBXYERGONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c1-16-22-27-28-23(18-10-6-3-7-11-18)29(22)21-14-19(12-13-20(21)26-16)24(30)25-15-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,25,30).
What are the key properties of N-benzyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
N-benzyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 71153223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).