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

C69H65F3IN15 — CID 160786596

IUPAC7-fluoro-8-(1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(3-iodo-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1,4,4,9-tetramethyl-8-(3-prop-1-ynyl-1H-indol-7-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline;prop-1-yne
SMILESC#CC.CC#Cc1c[nH]c2c(-c3c(F)cc4c(c3C)-n3c(C)nnc3C(C)(C)N4)cccc12.Cc1c(-c2cccc3c(I)c[nH]c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2.Cc1c(-c2cccc3cc[nH]c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2
InChIInChI=1S/C24H22FN5.C21H19FIN5.C21H20FN5.C3H4/c1-6-8-15-12-26-21-16(15)9-7-10-17(21)20-13(2)22-19(11-18(20)25)27-24(4,5)23-29-28-14(3)30(22)23;1-10-17(13-7-5-6-12-15(23)9-24-18(12)13)14(22)8-16-19(10)28-11(2)26-27-20(28)21(3,4)25-16;1-11-17(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;1-3-2/h7,9-12,26-27H,1-5H3;5-9,24-25H,1-4H3;5-10,23-24H,1-4H3;1H,2H3
InChIKeySBHFDNQMIPSZMB-UHFFFAOYSA-N
MW1288.28 g/mol
LogP16.11
Rot. Bonds3

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

7-fluoro-8-(1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(3-iodo-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1,4,4,9-tetramethyl-8-(3-prop-1-ynyl-1H-indol-7-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline;prop-1-yne (PubChem CID 160786596) has the molecular formula C69H65F3IN15 and a molecular weight of 1288.28 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;7-fluoro-8-(3-iodo-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1,4,4,9-tetramethyl-8-(3-prop-1-ynyl-1H-indol-7-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline;prop-1-yne.

Molecular Properties

Compound Name7-fluoro-8-(1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(3-iodo-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1,4,4,9-tetramethyl-8-(3-prop-1-ynyl-1H-indol-7-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline;prop-1-yne
PubChem CID160786596
Molecular FormulaC69H65F3IN15
Molecular Weight1288.28 g/mol
Exact Mass1287.45
IUPAC Name7-fluoro-8-(1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(3-iodo-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1,4,4,9-tetramethyl-8-(3-prop-1-ynyl-1H-indol-7-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline;prop-1-yne
SMILESC#CC.CC#Cc1c[nH]c2c(-c3c(F)cc4c(c3C)-n3c(C)nnc3C(C)(C)N4)cccc12.Cc1c(-c2cccc3c(I)c[nH]c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2.Cc1c(-c2cccc3cc[nH]c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2
InChIInChI=1S/C24H22FN5.C21H19FIN5.C21H20FN5.C3H4/c1-6-8-15-12-26-21-16(15)9-7-10-17(21)20-13(2)22-19(11-18(20)25)27-24(4,5)23-29-28-14(3)30(22)23;1-10-17(13-7-5-6-12-15(23)9-24-18(12)13)14(22)8-16-19(10)28-11(2)26-27-20(28)21(3,4)25-16;1-11-17(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;1-3-2/h7,9-12,26-27H,1-5H3;5-9,24-25H,1-4H3;5-10,23-24H,1-4H3;1H,2H3
InChIKeySBHFDNQMIPSZMB-UHFFFAOYSA-N
XLogP16.11
TPSA175.59 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001288.28
LogP ≤ 516.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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

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Related Compounds

9-(3-Butylphenyl)-14-[[7,8-diethyl-7-methyl-4-(trifluoromethyl)-3,5,6-triaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]methyl]-9-aza-15-azoniahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 123706810
7-fluoro-8-(1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
CID 146301996
7-fluoro-1,4,4,9-tetramethyl-8-[6-(trifluoromethyl)-1H-indol-4-yl]-5H-[1,2,4]triazolo[4,3-a]quinoxaline
CID 146302003
7,9-difluoro-8-(1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
CID 146302007
4-[7-(7-fluoro-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-1H-indol-3-yl]-2-methylbut-3-yn-2-amine
CID 146302008
7-fluoro-8-(1H-indol-4-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
CID 146302019
7-fluoro-8-(1H-indol-4-yl)-1,4,4-trimethyl-9-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline
CID 146302022
1-ethyl-7,9-difluoro-8-(5-fluoro-3-iodo-1H-indol-7-yl)-4,4-dimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
CID 146302025
1-ethyl-7-fluoro-8-(6-fluoro-1H-indol-4-yl)-4,4,9-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
CID 146302026
7,9-difluoro-1,4,4-trimethyl-8-[3-(trifluoromethyl)-1H-indol-7-yl]-5H-[1,2,4]triazolo[4,3-a]quinoxaline
CID 146302034
7-fluoro-1,4,4-trimethyl-8-(3-methyl-1H-indol-7-yl)-9-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline
CID 146302045
7,9-difluoro-8-(1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
CID 146302049

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;7-fluoro-8-(3-iodo-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1,4,4,9-tetramethyl-8-(3-prop-1-ynyl-1H-indol-7-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline;prop-1-yne?
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;7-fluoro-8-(3-iodo-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1,4,4,9-tetramethyl-8-(3-prop-1-ynyl-1H-indol-7-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline;prop-1-yne (CID 160786596) is 7-fluoro-8-(1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(3-iodo-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1,4,4,9-tetramethyl-8-(3-prop-1-ynyl-1H-indol-7-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline;prop-1-yne.
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;7-fluoro-8-(3-iodo-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1,4,4,9-tetramethyl-8-(3-prop-1-ynyl-1H-indol-7-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline;prop-1-yne?
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;7-fluoro-8-(3-iodo-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1,4,4,9-tetramethyl-8-(3-prop-1-ynyl-1H-indol-7-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline;prop-1-yne is C#CC.CC#Cc1c[nH]c2c(-c3c(F)cc4c(c3C)-n3c(C)nnc3C(C)(C)N4)cccc12.Cc1c(-c2cccc3c(I)c[nH]c23)c(F)cc2c1-n1c(C)nnc1C(C)(C)N2.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;7-fluoro-8-(3-iodo-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1,4,4,9-tetramethyl-8-(3-prop-1-ynyl-1H-indol-7-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline;prop-1-yne?
The InChIKey is SBHFDNQMIPSZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5.C21H19FIN5.C21H20FN5.C3H4/c1-6-8-15-12-26-21-16(15)9-7-10-17(21)20-13(2)22-19(11-18(20)25)27-24(4,5)23-29-28-14(3)30(22)23;1-10-17(13-7-5-6-12-15(23)9-24-18(12)13)14(22)8-16-19(10)28-11(2)26-27-20(28)21(3,4)25-16;1-11-17(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;1-3-2/h7,9-12,26-27H,1-5H3;5-9,24-25H,1-4H3;5-10,23-24H,1-4H3;1H,2H3.
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-(3-iodo-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1,4,4,9-tetramethyl-8-(3-prop-1-ynyl-1H-indol-7-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline;prop-1-yne?
7-fluoro-8-(1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-8-(3-iodo-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1,4,4,9-tetramethyl-8-(3-prop-1-ynyl-1H-indol-7-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline;prop-1-yne has a molecular weight of 1288.28 g/mol, XLogP of 16.11, 3 rotatable bonds, 6 hydrogen bond donors, and 12 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;7-fluoro-8-(3-iodo-1H-indol-7-yl)-1,4,4,9-tetramethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;7-fluoro-1,4,4,9-tetramethyl-8-(3-prop-1-ynyl-1H-indol-7-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline;prop-1-yne is sourced from PubChem (CID 160786596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).