8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxalin-6-ol

C19H16FN3O — CID 42630316

IUPAC8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxalin-6-ol
SMILESCc1ccccc1-c1nc(C)c2c(C)nc3c(O)cc(F)cc3n12
InChIInChI=1S/C19H16FN3O/c1-10-6-4-5-7-14(10)19-22-12(3)18-11(2)21-17-15(23(18)19)8-13(20)9-16(17)24/h4-9,24H,1-3H3
InChIKeyCUCTWVMJSNSTKF-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.32
Rot. Bonds1

About 8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxalin-6-ol

8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxalin-6-ol (PubChem CID 42630316) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxalin-6-ol.

Molecular Properties

Compound Name8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxalin-6-ol
PubChem CID42630316
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxalin-6-ol
SMILESCc1ccccc1-c1nc(C)c2c(C)nc3c(O)cc(F)cc3n12
InChIInChI=1S/C19H16FN3O/c1-10-6-4-5-7-14(10)19-22-12(3)18-11(2)21-17-15(23(18)19)8-13(20)9-16(17)24/h4-9,24H,1-3H3
InChIKeyCUCTWVMJSNSTKF-UHFFFAOYSA-N
XLogP4.32
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxalin-6-ol?
The IUPAC name of 8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxalin-6-ol (CID 42630316) is 8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxalin-6-ol.
What is the SMILES notation for 8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxalin-6-ol?
The canonical SMILES for 8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxalin-6-ol is Cc1ccccc1-c1nc(C)c2c(C)nc3c(O)cc(F)cc3n12.
What is the InChIKey of 8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxalin-6-ol?
The InChIKey is CUCTWVMJSNSTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-10-6-4-5-7-14(10)19-22-12(3)18-11(2)21-17-15(23(18)19)8-13(20)9-16(17)24/h4-9,24H,1-3H3.
What are the key properties of 8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxalin-6-ol?
8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxalin-6-ol has a molecular weight of 321.36 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxalin-6-ol is sourced from PubChem (CID 42630316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).