1-cyclohexyl-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-amine

C17H19FN4 — CID 42630801

IUPAC1-cyclohexyl-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-amine
SMILESCc1nc(C2CCCCC2)n2c1c(N)nc1ccc(F)cc12
InChIInChI=1S/C17H19FN4/c1-10-15-16(19)21-13-8-7-12(18)9-14(13)22(15)17(20-10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,19,21)
InChIKeyZYFOKDARCOJOCF-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.96
Rot. Bonds1

About 1-cyclohexyl-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-amine

1-cyclohexyl-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-amine (PubChem CID 42630801) has the molecular formula C17H19FN4 and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-cyclohexyl-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-amine.

Molecular Properties

Compound Name1-cyclohexyl-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-amine
PubChem CID42630801
Molecular FormulaC17H19FN4
Molecular Weight298.36 g/mol
Exact Mass298.16
IUPAC Name1-cyclohexyl-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-amine
SMILESCc1nc(C2CCCCC2)n2c1c(N)nc1ccc(F)cc12
InChIInChI=1S/C17H19FN4/c1-10-15-16(19)21-13-8-7-12(18)9-14(13)22(15)17(20-10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,19,21)
InChIKeyZYFOKDARCOJOCF-UHFFFAOYSA-N
XLogP3.96
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-amine?
The IUPAC name of 1-cyclohexyl-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-amine (CID 42630801) is 1-cyclohexyl-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-amine.
What is the SMILES notation for 1-cyclohexyl-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-amine?
The canonical SMILES for 1-cyclohexyl-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-amine is Cc1nc(C2CCCCC2)n2c1c(N)nc1ccc(F)cc12.
What is the InChIKey of 1-cyclohexyl-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-amine?
The InChIKey is ZYFOKDARCOJOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4/c1-10-15-16(19)21-13-8-7-12(18)9-14(13)22(15)17(20-10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,19,21).
What are the key properties of 1-cyclohexyl-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-amine?
1-cyclohexyl-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-amine has a molecular weight of 298.36 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-amine is sourced from PubChem (CID 42630801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).