2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]acetamide

C23H16ClN5O2 — CID 53125781

IUPAC2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(Oc2nc3ccccc3n3cnnc23)c1
InChIInChI=1S/C23H16ClN5O2/c24-16-10-8-15(9-11-16)12-21(30)26-17-4-3-5-18(13-17)31-23-22-28-25-14-29(22)20-7-2-1-6-19(20)27-23/h1-11,13-14H,12H2,(H,26,30)
InChIKeyPTFMOFLZXWFHOI-UHFFFAOYSA-N
MW429.87 g/mol
LogP4.90
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]acetamide

2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]acetamide (PubChem CID 53125781) has the molecular formula C23H16ClN5O2 and a molecular weight of 429.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]acetamide
PubChem CID53125781
Molecular FormulaC23H16ClN5O2
Molecular Weight429.87 g/mol
Exact Mass429.10
IUPAC Name2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(Oc2nc3ccccc3n3cnnc23)c1
InChIInChI=1S/C23H16ClN5O2/c24-16-10-8-15(9-11-16)12-21(30)26-17-4-3-5-18(13-17)31-23-22-28-25-14-29(22)20-7-2-1-6-19(20)27-23/h1-11,13-14H,12H2,(H,26,30)
InChIKeyPTFMOFLZXWFHOI-UHFFFAOYSA-N
XLogP4.90
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.87
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-carboxamide
CID 53032006
2-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123541
N-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide
CID 22432664
ethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate
CID 53125790
2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 3910179
N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431320
N-(3-butoxyphenyl)-2-(4-chlorophenyl)acetamide
CID 17095062
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17032167
2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 29263476
1-(4-chlorophenyl)-3-[4-(tetrazolo[1,5-a]quinoxalin-4-yloxy)phenyl]urea
CID 46377422
2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 5085866
2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 7294904

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]acetamide (CID 53125781) is 2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1cccc(Oc2nc3ccccc3n3cnnc23)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]acetamide?
The InChIKey is PTFMOFLZXWFHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O2/c24-16-10-8-15(9-11-16)12-21(30)26-17-4-3-5-18(13-17)31-23-22-28-25-14-29(22)20-7-2-1-6-19(20)27-23/h1-11,13-14H,12H2,(H,26,30).
What are the key properties of 2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]acetamide?
2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]acetamide has a molecular weight of 429.87 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]acetamide is sourced from PubChem (CID 53125781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).