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

C21H20FN5 — CID 146301996

IUPAC7-fluoro-8-(1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1c(-c2cccc3cc[nH]c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2
InChIInChI=1S/C21H20FN5/c1-11-17(14-7-5-6-13-8-9-23-18(13)14)15(22)10-16-19(11)27-12(2)25-26-20(27)21(3,4)24-16/h5-10,23-24H,1-4H3
InChIKeyAZTQBZUSWRWEPP-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.83
Rot. Bonds1

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

7-fluoro-8-(1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 146301996) has the molecular formula C21H20FN5 and a molecular weight of 361.42 g/mol. Its IUPAC name is 7-fluoro-8-(1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name7-fluoro-8-(1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID146301996
Molecular FormulaC21H20FN5
Molecular Weight361.42 g/mol
Exact Mass361.17
IUPAC Name7-fluoro-8-(1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1c(-c2cccc3cc[nH]c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2
InChIInChI=1S/C21H20FN5/c1-11-17(14-7-5-6-13-8-9-23-18(13)14)15(22)10-16-19(11)27-12(2)25-26-20(27)21(3,4)24-16/h5-10,23-24H,1-4H3
InChIKeyAZTQBZUSWRWEPP-UHFFFAOYSA-N
XLogP4.83
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-(1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 7-fluoro-8-(1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline (CID 146301996) is 7-fluoro-8-(1H-indol-7-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-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 7-fluoro-8-(1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1c(-c2cccc3cc[nH]c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2.
What is the InChIKey of 7-fluoro-8-(1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is AZTQBZUSWRWEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5/c1-11-17(14-7-5-6-13-8-9-23-18(13)14)15(22)10-16-19(11)27-12(2)25-26-20(27)21(3,4)24-16/h5-10,23-24H,1-4H3.
What are the key properties of 7-fluoro-8-(1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
7-fluoro-8-(1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 361.42 g/mol, XLogP of 4.83, 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-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 146301996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).