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

C23H14FN5O — CID 139228837

IUPAC2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESFc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H14FN5O/c24-15-10-11-19-16(12-15)21-22(26-18-9-5-4-8-17(18)25-21)29(19)13-20-27-28-23(30-20)14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyKKMFDDLDYPZGMX-UHFFFAOYSA-N
MW395.40 g/mol
LogP4.98
Rot. Bonds3

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

2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 139228837) has the molecular formula C23H14FN5O and a molecular weight of 395.40 g/mol. Its IUPAC name is 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID139228837
Molecular FormulaC23H14FN5O
Molecular Weight395.40 g/mol
Exact Mass395.12
IUPAC Name2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESFc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H14FN5O/c24-15-10-11-19-16(12-15)21-22(26-18-9-5-4-8-17(18)25-21)29(19)13-20-27-28-23(30-20)14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyKKMFDDLDYPZGMX-UHFFFAOYSA-N
XLogP4.98
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 54.98
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-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole (CID 139228837) is 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole is Fc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is KKMFDDLDYPZGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN5O/c24-15-10-11-19-16(12-15)21-22(26-18-9-5-4-8-17(18)25-21)29(19)13-20-27-28-23(30-20)14-6-2-1-3-7-14/h1-12H,13H2.
What are the key properties of 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 395.40 g/mol, XLogP of 4.98, 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-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 139228837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).