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

C18H15FN4O2 — CID 46200877

IUPAC6-fluoro-8-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(F)c2nnc3c(C)nc(-c4ccccc4OC)n3c2c1
InChIInChI=1S/C18H15FN4O2/c1-10-17-22-21-16-13(19)8-11(24-2)9-14(16)23(17)18(20-10)12-6-4-5-7-15(12)25-3/h4-9H,1-3H3
InChIKeyJAIVOWLSMOAQEM-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.41
Rot. Bonds3

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

6-fluoro-8-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine (PubChem CID 46200877) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 6-fluoro-8-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine.

Molecular Properties

Compound Name6-fluoro-8-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
PubChem CID46200877
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name6-fluoro-8-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(F)c2nnc3c(C)nc(-c4ccccc4OC)n3c2c1
InChIInChI=1S/C18H15FN4O2/c1-10-17-22-21-16-13(19)8-11(24-2)9-14(16)23(17)18(20-10)12-6-4-5-7-15(12)25-3/h4-9H,1-3H3
InChIKeyJAIVOWLSMOAQEM-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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Related Compounds

1-(2-Chlorophenyl)-6,8-Dimethoxy-3-Methylimidazo[5,1-C][1,2,4]benzotriazine
CID 60150358
3-(2-Fluoro-5-methoxyphenyl)-12-methoxy-5-methyl-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 46200734
Triazolo-pyridine derivative 5
CID 71295652
US11419874, Example 5
CID 110173727
3-Iodo-8-phenylmethoxypyrazolo[5,1-c][1,2,4]benzotriazine
CID 44221723
3-Iodo-8-[(2-methoxyphenyl)methoxy]-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium
CID 44221724
1-Methyl-4-(4-methylphenoxy)[1,2,4]triazolo[4,3-a]quinoxaline
CID 660063
4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]-7-methoxypyrrolo[1,2-a]quinoxaline
CID 10452995
Ethyl-(1-ethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-amine
CID 13385738
7-Methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-ylamine
CID 13385807
1-Ethyl-7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-ylamine
CID 13385828
2-Methoxy-9-(2-methoxyphenyl)-6,7-dimethylimidazo[1,5-a]pyrido[3,2-e]pyrazine
CID 42630064

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The IUPAC name of 6-fluoro-8-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine (CID 46200877) is 6-fluoro-8-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine.
What is the SMILES notation for 6-fluoro-8-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The canonical SMILES for 6-fluoro-8-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine is COc1cc(F)c2nnc3c(C)nc(-c4ccccc4OC)n3c2c1.
What is the InChIKey of 6-fluoro-8-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The InChIKey is JAIVOWLSMOAQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-10-17-22-21-16-13(19)8-11(24-2)9-14(16)23(17)18(20-10)12-6-4-5-7-15(12)25-3/h4-9H,1-3H3.
What are the key properties of 6-fluoro-8-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
6-fluoro-8-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 6-fluoro-8-methoxy-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine is sourced from PubChem (CID 46200877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).