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

C18H14F2N4O2 — CID 46198523

IUPAC6-fluoro-1-(2-fluoro-5-methoxyphenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1ccc(F)c(-c2nc(C)c3nnc4c(F)cc(OC)cc4n23)c1
InChIInChI=1S/C18H14F2N4O2/c1-9-17-23-22-16-14(20)7-11(26-3)8-15(16)24(17)18(21-9)12-6-10(25-2)4-5-13(12)19/h4-8H,1-3H3
InChIKeyOVFNIEPLLFYLGK-UHFFFAOYSA-N
MW356.33 g/mol
LogP3.55
Rot. Bonds3

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

6-fluoro-1-(2-fluoro-5-methoxyphenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine (PubChem CID 46198523) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 6-fluoro-1-(2-fluoro-5-methoxyphenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine.

Molecular Properties

Compound Name6-fluoro-1-(2-fluoro-5-methoxyphenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
PubChem CID46198523
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name6-fluoro-1-(2-fluoro-5-methoxyphenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1ccc(F)c(-c2nc(C)c3nnc4c(F)cc(OC)cc4n23)c1
InChIInChI=1S/C18H14F2N4O2/c1-9-17-23-22-16-14(20)7-11(26-3)8-15(16)24(17)18(21-9)12-6-10(25-2)4-5-13(12)19/h4-8H,1-3H3
InChIKeyOVFNIEPLLFYLGK-UHFFFAOYSA-N
XLogP3.55
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(2-fluoro-5-methoxyphenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The IUPAC name of 6-fluoro-1-(2-fluoro-5-methoxyphenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine (CID 46198523) is 6-fluoro-1-(2-fluoro-5-methoxyphenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine.
What is the SMILES notation for 6-fluoro-1-(2-fluoro-5-methoxyphenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The canonical SMILES for 6-fluoro-1-(2-fluoro-5-methoxyphenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine is COc1ccc(F)c(-c2nc(C)c3nnc4c(F)cc(OC)cc4n23)c1.
What is the InChIKey of 6-fluoro-1-(2-fluoro-5-methoxyphenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The InChIKey is OVFNIEPLLFYLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c1-9-17-23-22-16-14(20)7-11(26-3)8-15(16)24(17)18(21-9)12-6-10(25-2)4-5-13(12)19/h4-8H,1-3H3.
What are the key properties of 6-fluoro-1-(2-fluoro-5-methoxyphenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
6-fluoro-1-(2-fluoro-5-methoxyphenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine has a molecular weight of 356.33 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(2-fluoro-5-methoxyphenyl)-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine is sourced from PubChem (CID 46198523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).