propyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate

C19H17N5O2 — CID 20880184

IUPACpropyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate
SMILESCCCOC(=O)c1ccc(Nc2nc3ccccc3n3cnnc23)cc1
InChIInChI=1S/C19H17N5O2/c1-2-11-26-19(25)13-7-9-14(10-8-13)21-17-18-23-20-12-24(18)16-6-4-3-5-15(16)22-17/h3-10,12H,2,11H2,1H3,(H,21,22)
InChIKeyOOXOHRTWONEWMG-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.59
Rot. Bonds5

About propyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate

propyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate (PubChem CID 20880184) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is propyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate.

Molecular Properties

Compound Namepropyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate
PubChem CID20880184
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Namepropyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate
SMILESCCCOC(=O)c1ccc(Nc2nc3ccccc3n3cnnc23)cc1
InChIInChI=1S/C19H17N5O2/c1-2-11-26-19(25)13-7-9-14(10-8-13)21-17-18-23-20-12-24(18)16-6-4-3-5-15(16)22-17/h3-10,12H,2,11H2,1H3,(H,21,22)
InChIKeyOOXOHRTWONEWMG-UHFFFAOYSA-N
XLogP3.59
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze propyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate with MolForge

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Related Compounds

ethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate
CID 53125790
N-(3-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 20880171
ethyl 4-[(3-methylquinoxalin-2-yl)amino]benzoate
CID 91124666
4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]benzoic acid
CID 20921364
phenyl-[4-(propylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methanone
CID 20921326
N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431320
butyl 4-[(2-chloroquinazolin-4-yl)amino]benzoate
CID 22693003
8-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 20880203
[4-(2-methoxyphenyl)piperazin-1-yl]-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)phenyl]methanone
CID 22432277
propyl 4-(indolo[3,2-b]quinoxalin-6-ylmethyl)benzoate
CID 23411168
7-chloro-N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 10085894
N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5295767

Frequently Asked Questions

What is the IUPAC name of propyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate?
The IUPAC name of propyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate (CID 20880184) is propyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate.
What is the SMILES notation for propyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate?
The canonical SMILES for propyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate is CCCOC(=O)c1ccc(Nc2nc3ccccc3n3cnnc23)cc1.
What is the InChIKey of propyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate?
The InChIKey is OOXOHRTWONEWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-2-11-26-19(25)13-7-9-14(10-8-13)21-17-18-23-20-12-24(18)16-6-4-3-5-15(16)22-17/h3-10,12H,2,11H2,1H3,(H,21,22).
What are the key properties of propyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate?
propyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate has a molecular weight of 347.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzoate is sourced from PubChem (CID 20880184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).