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

C20H18FN3O — CID 42630193

IUPAC8-fluoro-6-methoxy-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline
SMILESCOc1cc(F)cc2c1nc(C)c1c(C)nc(-c3ccccc3C)n12
InChIInChI=1S/C20H18FN3O/c1-11-7-5-6-8-15(11)20-23-13(3)19-12(2)22-18-16(24(19)20)9-14(21)10-17(18)25-4/h5-10H,1-4H3
InChIKeyVVBTTWHJRZWRPW-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.62
Rot. Bonds2

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

8-fluoro-6-methoxy-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline (PubChem CID 42630193) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 8-fluoro-6-methoxy-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name8-fluoro-6-methoxy-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline
PubChem CID42630193
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name8-fluoro-6-methoxy-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline
SMILESCOc1cc(F)cc2c1nc(C)c1c(C)nc(-c3ccccc3C)n12
InChIInChI=1S/C20H18FN3O/c1-11-7-5-6-8-15(11)20-23-13(3)19-12(2)22-18-16(24(19)20)9-14(21)10-17(18)25-4/h5-10H,1-4H3
InChIKeyVVBTTWHJRZWRPW-UHFFFAOYSA-N
XLogP4.62
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-methoxy-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline?
The IUPAC name of 8-fluoro-6-methoxy-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline (CID 42630193) is 8-fluoro-6-methoxy-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline.
What is the SMILES notation for 8-fluoro-6-methoxy-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline?
The canonical SMILES for 8-fluoro-6-methoxy-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline is COc1cc(F)cc2c1nc(C)c1c(C)nc(-c3ccccc3C)n12.
What is the InChIKey of 8-fluoro-6-methoxy-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline?
The InChIKey is VVBTTWHJRZWRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-11-7-5-6-8-15(11)20-23-13(3)19-12(2)22-18-16(24(19)20)9-14(21)10-17(18)25-4/h5-10H,1-4H3.
What are the key properties of 8-fluoro-6-methoxy-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline?
8-fluoro-6-methoxy-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline has a molecular weight of 335.38 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-methoxy-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline is sourced from PubChem (CID 42630193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).