1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

C22H22ClN5O2 — CID 137349270

IUPAC1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCNC(=O)c1ccc2nc(C)c3nnc(-c4cc(OCC(C)C)ccc4Cl)n3c2c1
InChIInChI=1S/C22H22ClN5O2/c1-12(2)11-30-15-6-7-17(23)16(10-15)21-27-26-20-13(3)25-18-8-5-14(22(29)24-4)9-19(18)28(20)21/h5-10,12H,11H2,1-4H3,(H,24,29)
InChIKeyNUXSVUZDEZKZLN-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.30
Rot. Bonds5

About 1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (PubChem CID 137349270) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound Name1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
PubChem CID137349270
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCNC(=O)c1ccc2nc(C)c3nnc(-c4cc(OCC(C)C)ccc4Cl)n3c2c1
InChIInChI=1S/C22H22ClN5O2/c1-12(2)11-30-15-6-7-17(23)16(10-15)21-27-26-20-13(3)25-18-8-5-14(22(29)24-4)9-19(18)28(20)21/h5-10,12H,11H2,1-4H3,(H,24,29)
InChIKeyNUXSVUZDEZKZLN-UHFFFAOYSA-N
XLogP4.30
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-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

1-(2-chloro-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 137349274
N-(1-adamantyl)-1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 137349272
1-[2-chloro-5-[(2-methylpropan-2-yl)oxy]phenyl]-4-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 137349275
N-tert-butyl-1-(2-chloro-5-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 145949241
1-[2-chloro-5-[(2-methylpropan-2-yl)oxy]phenyl]-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 145955706
1-[2-chloro-5-[(2-methylpropan-2-yl)oxy]phenyl]-4-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 145955921
1-(2-chloro-5-propan-2-yloxyphenyl)-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 145955963
1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 145957188
1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 145958637
N-(1-adamantyl)-1-(2-chloro-5-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 145971960
1-[2-Chloro-5-(4,4,4,-trifluoro-butoxy)-phenyl]-4,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 60152740
N-ethyl-1-(2-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71151948

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The IUPAC name of 1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (CID 137349270) is 1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.
What is the SMILES notation for 1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The canonical SMILES for 1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is CNC(=O)c1ccc2nc(C)c3nnc(-c4cc(OCC(C)C)ccc4Cl)n3c2c1.
What is the InChIKey of 1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The InChIKey is NUXSVUZDEZKZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-12(2)11-30-15-6-7-17(23)16(10-15)21-27-26-20-13(3)25-18-8-5-14(22(29)24-4)9-19(18)28(20)21/h5-10,12H,11H2,1-4H3,(H,24,29).
What are the key properties of 1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide has a molecular weight of 423.90 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 137349270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).