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

C24H18ClN5O — CID 71152297

IUPACN-benzyl-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3ccccc3)cc2n2c(-c3ccccc3Cl)nnc12
InChIInChI=1S/C24H18ClN5O/c1-15-22-28-29-23(18-9-5-6-10-19(18)25)30(22)21-13-17(11-12-20(21)27-15)24(31)26-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,26,31)
InChIKeyLPZCANRRYYLKAQ-UHFFFAOYSA-N
MW427.90 g/mol
LogP4.84
Rot. Bonds4

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

N-benzyl-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (PubChem CID 71152297) has the molecular formula C24H18ClN5O and a molecular weight of 427.90 g/mol. Its IUPAC name is N-benzyl-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
PubChem CID71152297
Molecular FormulaC24H18ClN5O
Molecular Weight427.90 g/mol
Exact Mass427.12
IUPAC NameN-benzyl-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3ccccc3)cc2n2c(-c3ccccc3Cl)nnc12
InChIInChI=1S/C24H18ClN5O/c1-15-22-28-29-23(18-9-5-6-10-19(18)25)30(22)21-13-17(11-12-20(21)27-15)24(31)26-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,26,31)
InChIKeyLPZCANRRYYLKAQ-UHFFFAOYSA-N
XLogP4.84
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.90
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The IUPAC name of N-benzyl-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (CID 71152297) is N-benzyl-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The canonical SMILES for N-benzyl-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is Cc1nc2ccc(C(=O)NCc3ccccc3)cc2n2c(-c3ccccc3Cl)nnc12.
What is the InChIKey of N-benzyl-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The InChIKey is LPZCANRRYYLKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O/c1-15-22-28-29-23(18-9-5-6-10-19(18)25)30(22)21-13-17(11-12-20(21)27-15)24(31)26-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,26,31).
What are the key properties of N-benzyl-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
N-benzyl-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide has a molecular weight of 427.90 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 71152297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).