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

C20H17F2N5 — CID 146302049

IUPAC7,9-difluoro-8-(1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nnc2n1-c1c(cc(F)c(-c3cccc4[nH]ccc34)c1F)NC2(C)C
InChIInChI=1S/C20H17F2N5/c1-10-25-26-19-20(2,3)24-15-9-13(21)16(17(22)18(15)27(10)19)12-5-4-6-14-11(12)7-8-23-14/h4-9,23-24H,1-3H3
InChIKeyKUSWTYRFWWIILH-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.66
Rot. Bonds1

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

7,9-difluoro-8-(1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 146302049) has the molecular formula C20H17F2N5 and a molecular weight of 365.39 g/mol. Its IUPAC name is 7,9-difluoro-8-(1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name7,9-difluoro-8-(1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID146302049
Molecular FormulaC20H17F2N5
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name7,9-difluoro-8-(1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nnc2n1-c1c(cc(F)c(-c3cccc4[nH]ccc34)c1F)NC2(C)C
InChIInChI=1S/C20H17F2N5/c1-10-25-26-19-20(2,3)24-15-9-13(21)16(17(22)18(15)27(10)19)12-5-4-6-14-11(12)7-8-23-14/h4-9,23-24H,1-3H3
InChIKeyKUSWTYRFWWIILH-UHFFFAOYSA-N
XLogP4.66
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,9-difluoro-8-(1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 7,9-difluoro-8-(1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline (CID 146302049) is 7,9-difluoro-8-(1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 7,9-difluoro-8-(1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 7,9-difluoro-8-(1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1nnc2n1-c1c(cc(F)c(-c3cccc4[nH]ccc34)c1F)NC2(C)C.
What is the InChIKey of 7,9-difluoro-8-(1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is KUSWTYRFWWIILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5/c1-10-25-26-19-20(2,3)24-15-9-13(21)16(17(22)18(15)27(10)19)12-5-4-6-14-11(12)7-8-23-14/h4-9,23-24H,1-3H3.
What are the key properties of 7,9-difluoro-8-(1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
7,9-difluoro-8-(1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 365.39 g/mol, XLogP of 4.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-difluoro-8-(1H-indol-4-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 146302049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).