7-fluoro-8-(1H-indol-4-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline

C21H20FN5 — CID 146302019

IUPAC7-fluoro-8-(1H-indol-4-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCC1=C2C(=CC(=C1C3=C4C=CNC4=CC=C3)F)NC(C5=NN=C(N25)C)(C)C
InChIInChI=1S/C21H20FN5/c1-11-18(14-6-5-7-16-13(14)8-9-23-16)15(22)10-17-19(11)27-12(2)25-26-20(27)21(3,4)24-17/h5-10,23-24H,1-4H3
InChIKeyINWFZHYGKKDJMD-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.90
Rot. Bonds1

About 7-fluoro-8-(1H-indol-4-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline

7-fluoro-8-(1H-indol-4-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 146302019) has the molecular formula C21H20FN5 and a molecular weight of 361.40 g/mol. Its IUPAC name is 7-fluoro-8-(1H-indol-4-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name7-fluoro-8-(1H-indol-4-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID146302019
Molecular FormulaC21H20FN5
Molecular Weight361.40 g/mol
Exact Mass361.17
IUPAC Name7-fluoro-8-(1H-indol-4-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCC1=C2C(=CC(=C1C3=C4C=CNC4=CC=C3)F)NC(C5=NN=C(N25)C)(C)C
InChIInChI=1S/C21H20FN5/c1-11-18(14-6-5-7-16-13(14)8-9-23-16)15(22)10-17-19(11)27-12(2)25-26-20(27)21(3,4)24-17/h5-10,23-24H,1-4H3
InChIKeyINWFZHYGKKDJMD-UHFFFAOYSA-N
XLogP3.90
TPSA58.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity571

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-8-(1H-indol-4-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-(1H-indol-4-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 7-fluoro-8-(1H-indol-4-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline (CID 146302019) is 7-fluoro-8-(1H-indol-4-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 7-fluoro-8-(1H-indol-4-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 7-fluoro-8-(1H-indol-4-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is CC1=C2C(=CC(=C1C3=C4C=CNC4=CC=C3)F)NC(C5=NN=C(N25)C)(C)C.
What is the InChIKey of 7-fluoro-8-(1H-indol-4-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is INWFZHYGKKDJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5/c1-11-18(14-6-5-7-16-13(14)8-9-23-16)15(22)10-17-19(11)27-12(2)25-26-20(27)21(3,4)24-17/h5-10,23-24H,1-4H3.
What are the key properties of 7-fluoro-8-(1H-indol-4-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
7-fluoro-8-(1H-indol-4-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 361.40 g/mol, XLogP of 3.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-(1H-indol-4-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 146302019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).