3,4-dimethyl-1-(3-methyl-4-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline

C19H15F3N4O — CID 56648857

IUPAC3,4-dimethyl-1-(3-methyl-4-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline
SMILESCc1cnccc1-c1nc(C)c2c(C)nc3ccc(OC(F)(F)F)cc3n12
InChIInChI=1S/C19H15F3N4O/c1-10-9-23-7-6-14(10)18-25-12(3)17-11(2)24-15-5-4-13(27-19(20,21)22)8-16(15)26(17)18/h4-9H,1-3H3
InChIKeyNEAVXSYDFFCBNJ-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.77
Rot. Bonds2

About 3,4-dimethyl-1-(3-methyl-4-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline

3,4-dimethyl-1-(3-methyl-4-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline (PubChem CID 56648857) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 3,4-dimethyl-1-(3-methyl-4-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name3,4-dimethyl-1-(3-methyl-4-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline
PubChem CID56648857
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name3,4-dimethyl-1-(3-methyl-4-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline
SMILESCc1cnccc1-c1nc(C)c2c(C)nc3ccc(OC(F)(F)F)cc3n12
InChIInChI=1S/C19H15F3N4O/c1-10-9-23-7-6-14(10)18-25-12(3)17-11(2)24-15-5-4-13(27-19(20,21)22)8-16(15)26(17)18/h4-9H,1-3H3
InChIKeyNEAVXSYDFFCBNJ-UHFFFAOYSA-N
XLogP4.77
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(3-methyl-4-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline?
The IUPAC name of 3,4-dimethyl-1-(3-methyl-4-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline (CID 56648857) is 3,4-dimethyl-1-(3-methyl-4-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline.
What is the SMILES notation for 3,4-dimethyl-1-(3-methyl-4-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline?
The canonical SMILES for 3,4-dimethyl-1-(3-methyl-4-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline is Cc1cnccc1-c1nc(C)c2c(C)nc3ccc(OC(F)(F)F)cc3n12.
What is the InChIKey of 3,4-dimethyl-1-(3-methyl-4-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline?
The InChIKey is NEAVXSYDFFCBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-10-9-23-7-6-14(10)18-25-12(3)17-11(2)24-15-5-4-13(27-19(20,21)22)8-16(15)26(17)18/h4-9H,1-3H3.
What are the key properties of 3,4-dimethyl-1-(3-methyl-4-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline?
3,4-dimethyl-1-(3-methyl-4-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline has a molecular weight of 372.35 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(3-methyl-4-pyridinyl)-8-(trifluoromethoxy)imidazo[1,5-a]quinoxaline is sourced from PubChem (CID 56648857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).