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

C23H23ClN6O2 — CID 71153321

IUPAC1-(2-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCc1nc2ccc(C(=O)NCCN3CCOCC3)cc2n2c(-c3ccccc3Cl)nnc12
InChIInChI=1S/C23H23ClN6O2/c1-15-21-27-28-22(17-4-2-3-5-18(17)24)30(21)20-14-16(6-7-19(20)26-15)23(31)25-8-9-29-10-12-32-13-11-29/h2-7,14H,8-13H2,1H3,(H,25,31)
InChIKeyIFWAHVQKYGJWGP-UHFFFAOYSA-N
MW450.93 g/mol
LogP2.97
Rot. Bonds5

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

1-(2-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (PubChem CID 71153321) has the molecular formula C23H23ClN6O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
PubChem CID71153321
Molecular FormulaC23H23ClN6O2
Molecular Weight450.93 g/mol
Exact Mass450.16
IUPAC Name1-(2-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCc1nc2ccc(C(=O)NCCN3CCOCC3)cc2n2c(-c3ccccc3Cl)nnc12
InChIInChI=1S/C23H23ClN6O2/c1-15-21-27-28-22(17-4-2-3-5-18(17)24)30(21)20-14-16(6-7-19(20)26-15)23(31)25-8-9-29-10-12-32-13-11-29/h2-7,14H,8-13H2,1H3,(H,25,31)
InChIKeyIFWAHVQKYGJWGP-UHFFFAOYSA-N
XLogP2.97
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (CID 71153321) is 1-(2-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is Cc1nc2ccc(C(=O)NCCN3CCOCC3)cc2n2c(-c3ccccc3Cl)nnc12.
What is the InChIKey of 1-(2-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The InChIKey is IFWAHVQKYGJWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O2/c1-15-21-27-28-22(17-4-2-3-5-18(17)24)30(21)20-14-16(6-7-19(20)26-15)23(31)25-8-9-29-10-12-32-13-11-29/h2-7,14H,8-13H2,1H3,(H,25,31).
What are the key properties of 1-(2-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
1-(2-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide has a molecular weight of 450.93 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 71153321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).