8-fluoro-6-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine

C18H15FN4O2 — CID 68596452

IUPAC8-fluoro-6-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1ccccc1-c1nc(C)c2nnc3c(OC)cc(F)cc3n12
InChIInChI=1S/C18H15FN4O2/c1-10-17-22-21-16-13(8-11(19)9-15(16)25-3)23(17)18(20-10)12-6-4-5-7-14(12)24-2/h4-9H,1-3H3
InChIKeyIZIINKYFYLUKNA-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.41
Rot. Bonds3

About 8-fluoro-6-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine

8-fluoro-6-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine (PubChem CID 68596452) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 8-fluoro-6-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine.

Molecular Properties

Compound Name8-fluoro-6-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
PubChem CID68596452
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name8-fluoro-6-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1ccccc1-c1nc(C)c2nnc3c(OC)cc(F)cc3n12
InChIInChI=1S/C18H15FN4O2/c1-10-17-22-21-16-13(8-11(19)9-15(16)25-3)23(17)18(20-10)12-6-4-5-7-14(12)24-2/h4-9H,1-3H3
InChIKeyIZIINKYFYLUKNA-UHFFFAOYSA-N
XLogP3.41
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The IUPAC name of 8-fluoro-6-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine (CID 68596452) is 8-fluoro-6-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine.
What is the SMILES notation for 8-fluoro-6-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The canonical SMILES for 8-fluoro-6-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine is COc1ccccc1-c1nc(C)c2nnc3c(OC)cc(F)cc3n12.
What is the InChIKey of 8-fluoro-6-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The InChIKey is IZIINKYFYLUKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-10-17-22-21-16-13(8-11(19)9-15(16)25-3)23(17)18(20-10)12-6-4-5-7-14(12)24-2/h4-9H,1-3H3.
What are the key properties of 8-fluoro-6-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
8-fluoro-6-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine has a molecular weight of 338.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine is sourced from PubChem (CID 68596452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).