1-(8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one

C18H15ClN4O — CID 118721207

IUPAC1-(8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one
SMILESCCC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(Cl)ccc21
InChIInChI=1S/C18H15ClN4O/c1-2-17(24)22-11-16-20-18(12-6-4-3-5-7-12)21-23(16)15-10-13(19)8-9-14(15)22/h3-10H,2,11H2,1H3
InChIKeyNQUUEXKVFJTDTJ-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.84
Rot. Bonds2

About 1-(8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one

1-(8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one (PubChem CID 118721207) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 1-(8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one
PubChem CID118721207
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name1-(8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one
SMILESCCC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(Cl)ccc21
InChIInChI=1S/C18H15ClN4O/c1-2-17(24)22-11-16-20-18(12-6-4-3-5-7-12)21-23(16)15-10-13(19)8-9-14(15)22/h3-10H,2,11H2,1H3
InChIKeyNQUUEXKVFJTDTJ-UHFFFAOYSA-N
XLogP3.84
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one with MolForge

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Related Compounds

(3R)-6-[2-(4-chlorophenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-4-cyclopentyl-1,3-dimethyl-3H-quinoxalin-2-one
CID 146322283
8-chloro-2-(3-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 9972965
8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 10425813
4,5-Dihydro-5,8-dimethyl-2-phenyl-1,2,4-triazolo[1,5-a]quinoxalin-4-one
CID 11543839
8-chloro-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one
CID 44405119
1-(8-methyl-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one
CID 101886899
ethyl 8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
CID 118721208
methyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
CID 118721210
5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one
CID 44405120
1-(2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one
CID 118721209
ethyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
CID 118721211
N-(4-chlorophenyl)-2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)acetamide
CID 164618366

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one?
The IUPAC name of 1-(8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one (CID 118721207) is 1-(8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one.
What is the SMILES notation for 1-(8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one?
The canonical SMILES for 1-(8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one is CCC(=O)N1Cc2nc(-c3ccccc3)nn2-c2cc(Cl)ccc21.
What is the InChIKey of 1-(8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one?
The InChIKey is NQUUEXKVFJTDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-2-17(24)22-11-16-20-18(12-6-4-3-5-7-12)21-23(16)15-10-13(19)8-9-14(15)22/h3-10H,2,11H2,1H3.
What are the key properties of 1-(8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one?
1-(8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one has a molecular weight of 338.80 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one is sourced from PubChem (CID 118721207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).