1-[4-chloro-2-(trifluoromethyl)phenyl]-8-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline

C20H15ClF3N3O — CID 66862046

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]-8-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline
SMILESCOc1ccc2nc(C)c3c(C)nc(-c4ccc(Cl)cc4C(F)(F)F)n3c2c1
InChIInChI=1S/C20H15ClF3N3O/c1-10-18-11(2)26-19(14-6-4-12(21)8-15(14)20(22,23)24)27(18)17-9-13(28-3)5-7-16(17)25-10/h4-9H,1-3H3
InChIKeyZMGIWHGMLASEKN-UHFFFAOYSA-N
MW405.81 g/mol
LogP5.85
Rot. Bonds2

About 1-[4-chloro-2-(trifluoromethyl)phenyl]-8-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline

1-[4-chloro-2-(trifluoromethyl)phenyl]-8-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline (PubChem CID 66862046) has the molecular formula C20H15ClF3N3O and a molecular weight of 405.81 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]-8-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]-8-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline
PubChem CID66862046
Molecular FormulaC20H15ClF3N3O
Molecular Weight405.81 g/mol
Exact Mass405.09
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]-8-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline
SMILESCOc1ccc2nc(C)c3c(C)nc(-c4ccc(Cl)cc4C(F)(F)F)n3c2c1
InChIInChI=1S/C20H15ClF3N3O/c1-10-18-11(2)26-19(14-6-4-12(21)8-15(14)20(22,23)24)27(18)17-9-13(28-3)5-7-16(17)25-10/h4-9H,1-3H3
InChIKeyZMGIWHGMLASEKN-UHFFFAOYSA-N
XLogP5.85
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.81
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-8-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-8-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline (CID 66862046) is 1-[4-chloro-2-(trifluoromethyl)phenyl]-8-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]-8-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]-8-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline is COc1ccc2nc(C)c3c(C)nc(-c4ccc(Cl)cc4C(F)(F)F)n3c2c1.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]-8-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline?
The InChIKey is ZMGIWHGMLASEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O/c1-10-18-11(2)26-19(14-6-4-12(21)8-15(14)20(22,23)24)27(18)17-9-13(28-3)5-7-16(17)25-10/h4-9H,1-3H3.
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]-8-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline?
1-[4-chloro-2-(trifluoromethyl)phenyl]-8-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline has a molecular weight of 405.81 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]-8-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline is sourced from PubChem (CID 66862046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).