8-fluoro-3-methyl-1-propylimidazo[1,5-a]quinoxaline-4-carbonitrile

C15H13FN4 — CID 42623135

IUPAC8-fluoro-3-methyl-1-propylimidazo[1,5-a]quinoxaline-4-carbonitrile
SMILESCCCc1nc(C)c2c(C#N)nc3ccc(F)cc3n12
InChIInChI=1S/C15H13FN4/c1-3-4-14-18-9(2)15-12(8-17)19-11-6-5-10(16)7-13(11)20(14)15/h5-7H,3-4H2,1-2H3
InChIKeyKJKJFJBSZSIXSC-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.15
Rot. Bonds2

About 8-fluoro-3-methyl-1-propylimidazo[1,5-a]quinoxaline-4-carbonitrile

8-fluoro-3-methyl-1-propylimidazo[1,5-a]quinoxaline-4-carbonitrile (PubChem CID 42623135) has the molecular formula C15H13FN4 and a molecular weight of 268.29 g/mol. Its IUPAC name is 8-fluoro-3-methyl-1-propylimidazo[1,5-a]quinoxaline-4-carbonitrile.

Molecular Properties

Compound Name8-fluoro-3-methyl-1-propylimidazo[1,5-a]quinoxaline-4-carbonitrile
PubChem CID42623135
Molecular FormulaC15H13FN4
Molecular Weight268.29 g/mol
Exact Mass268.11
IUPAC Name8-fluoro-3-methyl-1-propylimidazo[1,5-a]quinoxaline-4-carbonitrile
SMILESCCCc1nc(C)c2c(C#N)nc3ccc(F)cc3n12
InChIInChI=1S/C15H13FN4/c1-3-4-14-18-9(2)15-12(8-17)19-11-6-5-10(16)7-13(11)20(14)15/h5-7H,3-4H2,1-2H3
InChIKeyKJKJFJBSZSIXSC-UHFFFAOYSA-N
XLogP3.15
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-methyl-1-propylimidazo[1,5-a]quinoxaline-4-carbonitrile?
The IUPAC name of 8-fluoro-3-methyl-1-propylimidazo[1,5-a]quinoxaline-4-carbonitrile (CID 42623135) is 8-fluoro-3-methyl-1-propylimidazo[1,5-a]quinoxaline-4-carbonitrile.
What is the SMILES notation for 8-fluoro-3-methyl-1-propylimidazo[1,5-a]quinoxaline-4-carbonitrile?
The canonical SMILES for 8-fluoro-3-methyl-1-propylimidazo[1,5-a]quinoxaline-4-carbonitrile is CCCc1nc(C)c2c(C#N)nc3ccc(F)cc3n12.
What is the InChIKey of 8-fluoro-3-methyl-1-propylimidazo[1,5-a]quinoxaline-4-carbonitrile?
The InChIKey is KJKJFJBSZSIXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4/c1-3-4-14-18-9(2)15-12(8-17)19-11-6-5-10(16)7-13(11)20(14)15/h5-7H,3-4H2,1-2H3.
What are the key properties of 8-fluoro-3-methyl-1-propylimidazo[1,5-a]quinoxaline-4-carbonitrile?
8-fluoro-3-methyl-1-propylimidazo[1,5-a]quinoxaline-4-carbonitrile has a molecular weight of 268.29 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-methyl-1-propylimidazo[1,5-a]quinoxaline-4-carbonitrile is sourced from PubChem (CID 42623135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).