2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

C23H13F2N5O — CID 139228840

IUPAC2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(Cn3c4ccc(F)cc4c4nc5ccccc5nc43)o2)cc1
InChIInChI=1S/C23H13F2N5O/c24-14-7-5-13(6-8-14)23-29-28-20(31-23)12-30-19-10-9-15(25)11-16(19)21-22(30)27-18-4-2-1-3-17(18)26-21/h1-11H,12H2
InChIKeyGJVIKRKFAVFRNJ-UHFFFAOYSA-N
MW413.39 g/mol
LogP5.11
Rot. Bonds3

About 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 139228840) has the molecular formula C23H13F2N5O and a molecular weight of 413.39 g/mol. Its IUPAC name is 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID139228840
Molecular FormulaC23H13F2N5O
Molecular Weight413.39 g/mol
Exact Mass413.11
IUPAC Name2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(Cn3c4ccc(F)cc4c4nc5ccccc5nc43)o2)cc1
InChIInChI=1S/C23H13F2N5O/c24-14-7-5-13(6-8-14)23-29-28-20(31-23)12-30-19-10-9-15(25)11-16(19)21-22(30)27-18-4-2-1-3-17(18)26-21/h1-11H,12H2
InChIKeyGJVIKRKFAVFRNJ-UHFFFAOYSA-N
XLogP5.11
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.39
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (CID 139228840) is 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is Fc1ccc(-c2nnc(Cn3c4ccc(F)cc4c4nc5ccccc5nc43)o2)cc1.
What is the InChIKey of 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is GJVIKRKFAVFRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F2N5O/c24-14-7-5-13(6-8-14)23-29-28-20(31-23)12-30-19-10-9-15(25)11-16(19)21-22(30)27-18-4-2-1-3-17(18)26-21/h1-11H,12H2.
What are the key properties of 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 413.39 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 139228840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).