8-fluoro-4-(2-indol-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

C19H15FN6O — CID 91576271

IUPAC8-fluoro-4-(2-indol-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1[nH]nc2c(NCCn3ccc4ccccc43)nc3ccc(F)cc3n12
InChIInChI=1S/C19H15FN6O/c20-13-5-6-14-16(11-13)26-18(23-24-19(26)27)17(22-14)21-8-10-25-9-7-12-3-1-2-4-15(12)25/h1-7,9,11H,8,10H2,(H,21,22)(H,24,27)
InChIKeyYOSNQPUHSHKUHE-UHFFFAOYSA-N
MW362.37 g/mol
LogP2.78
Rot. Bonds4

About 8-fluoro-4-(2-indol-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

8-fluoro-4-(2-indol-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (PubChem CID 91576271) has the molecular formula C19H15FN6O and a molecular weight of 362.37 g/mol. Its IUPAC name is 8-fluoro-4-(2-indol-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.

Molecular Properties

Compound Name8-fluoro-4-(2-indol-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
PubChem CID91576271
Molecular FormulaC19H15FN6O
Molecular Weight362.37 g/mol
Exact Mass362.13
IUPAC Name8-fluoro-4-(2-indol-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1[nH]nc2c(NCCn3ccc4ccccc43)nc3ccc(F)cc3n12
InChIInChI=1S/C19H15FN6O/c20-13-5-6-14-16(11-13)26-18(23-24-19(26)27)17(22-14)21-8-10-25-9-7-12-3-1-2-4-15(12)25/h1-7,9,11H,8,10H2,(H,21,22)(H,24,27)
InChIKeyYOSNQPUHSHKUHE-UHFFFAOYSA-N
XLogP2.78
TPSA80.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-(2-indol-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The IUPAC name of 8-fluoro-4-(2-indol-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (CID 91576271) is 8-fluoro-4-(2-indol-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.
What is the SMILES notation for 8-fluoro-4-(2-indol-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The canonical SMILES for 8-fluoro-4-(2-indol-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is O=c1[nH]nc2c(NCCn3ccc4ccccc43)nc3ccc(F)cc3n12.
What is the InChIKey of 8-fluoro-4-(2-indol-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The InChIKey is YOSNQPUHSHKUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O/c20-13-5-6-14-16(11-13)26-18(23-24-19(26)27)17(22-14)21-8-10-25-9-7-12-3-1-2-4-15(12)25/h1-7,9,11H,8,10H2,(H,21,22)(H,24,27).
What are the key properties of 8-fluoro-4-(2-indol-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
8-fluoro-4-(2-indol-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one has a molecular weight of 362.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-(2-indol-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is sourced from PubChem (CID 91576271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).