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

C24H16FN5O — CID 139228839

IUPAC2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(Cn3c4ccc(F)cc4c4nc5ccccc5nc43)o2)cc1
InChIInChI=1S/C24H16FN5O/c1-14-6-8-15(9-7-14)24-29-28-21(31-24)13-30-20-11-10-16(25)12-17(20)22-23(30)27-19-5-3-2-4-18(19)26-22/h2-12H,13H2,1H3
InChIKeyMHLUUSPYQUAWSN-UHFFFAOYSA-N
MW409.42 g/mol
LogP5.28
Rot. Bonds3

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

2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 139228839) has the molecular formula C24H16FN5O and a molecular weight of 409.42 g/mol. Its IUPAC name is 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID139228839
Molecular FormulaC24H16FN5O
Molecular Weight409.42 g/mol
Exact Mass409.13
IUPAC Name2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(Cn3c4ccc(F)cc4c4nc5ccccc5nc43)o2)cc1
InChIInChI=1S/C24H16FN5O/c1-14-6-8-15(9-7-14)24-29-28-21(31-24)13-30-20-11-10-16(25)12-17(20)22-23(30)27-19-5-3-2-4-18(19)26-22/h2-12H,13H2,1H3
InChIKeyMHLUUSPYQUAWSN-UHFFFAOYSA-N
XLogP5.28
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.42
LogP ≤ 55.28
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-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 139228839) is 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(Cn3c4ccc(F)cc4c4nc5ccccc5nc43)o2)cc1.
What is the InChIKey of 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is MHLUUSPYQUAWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5O/c1-14-6-8-15(9-7-14)24-29-28-21(31-24)13-30-20-11-10-16(25)12-17(20)22-23(30)27-19-5-3-2-4-18(19)26-22/h2-12H,13H2,1H3.
What are the key properties of 2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
2-[(9-fluoroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 409.42 g/mol, XLogP of 5.28, 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-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 139228839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).