N-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide

C24H19ClN6O — CID 22432664

IUPACN-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cccc(Nc2nc3ccccc3n3cnnc23)c1
InChIInChI=1S/C24H19ClN6O/c25-18-10-8-16(9-11-18)12-13-26-24(32)17-4-3-5-19(14-17)28-22-23-30-27-15-31(23)21-7-2-1-6-20(21)29-22/h1-11,14-15H,12-13H2,(H,26,32)(H,28,29)
InChIKeyFHJRUJLVXULHTG-UHFFFAOYSA-N
MW442.91 g/mol
LogP4.65
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide

N-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide (PubChem CID 22432664) has the molecular formula C24H19ClN6O and a molecular weight of 442.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide
PubChem CID22432664
Molecular FormulaC24H19ClN6O
Molecular Weight442.91 g/mol
Exact Mass442.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cccc(Nc2nc3ccccc3n3cnnc23)c1
InChIInChI=1S/C24H19ClN6O/c25-18-10-8-16(9-11-18)12-13-26-24(32)17-4-3-5-19(14-17)28-22-23-30-27-15-31(23)21-7-2-1-6-20(21)29-22/h1-11,14-15H,12-13H2,(H,26,32)(H,28,29)
InChIKeyFHJRUJLVXULHTG-UHFFFAOYSA-N
XLogP4.65
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methylphenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide
CID 22432202
N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431320
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
CID 22432233
N-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 20880171
8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431418
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
N-[2-(cyclohexen-1-yl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
CID 20914356
2-(4-chlorophenyl)-N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]acetamide
CID 53125781
3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983329
4-[([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)methyl]benzoic acid
CID 20880177
3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide
CID 90040181
N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide
CID 9217649

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide (CID 22432664) is N-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide is O=C(NCCc1ccc(Cl)cc1)c1cccc(Nc2nc3ccccc3n3cnnc23)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide?
The InChIKey is FHJRUJLVXULHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O/c25-18-10-8-16(9-11-18)12-13-26-24(32)17-4-3-5-19(14-17)28-22-23-30-27-15-31(23)21-7-2-1-6-20(21)29-22/h1-11,14-15H,12-13H2,(H,26,32)(H,28,29).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide?
N-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide has a molecular weight of 442.91 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide is sourced from PubChem (CID 22432664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).