5-methoxy-7-methyl-3-[3-(trifluoromethyl)phenyl]cinnoline

C17H13F3N2O — CID 23086712

IUPAC5-methoxy-7-methyl-3-[3-(trifluoromethyl)phenyl]cinnoline
SMILESCOc1cc(C)cc2nnc(-c3cccc(C(F)(F)F)c3)cc12
InChIInChI=1S/C17H13F3N2O/c1-10-6-15-13(16(7-10)23-2)9-14(21-22-15)11-4-3-5-12(8-11)17(18,19)20/h3-9H,1-2H3
InChIKeyQAMXKRWGYCDVPY-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.63
Rot. Bonds2

About 5-methoxy-7-methyl-3-[3-(trifluoromethyl)phenyl]cinnoline

5-methoxy-7-methyl-3-[3-(trifluoromethyl)phenyl]cinnoline (PubChem CID 23086712) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 5-methoxy-7-methyl-3-[3-(trifluoromethyl)phenyl]cinnoline.

Molecular Properties

Compound Name5-methoxy-7-methyl-3-[3-(trifluoromethyl)phenyl]cinnoline
PubChem CID23086712
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name5-methoxy-7-methyl-3-[3-(trifluoromethyl)phenyl]cinnoline
SMILESCOc1cc(C)cc2nnc(-c3cccc(C(F)(F)F)c3)cc12
InChIInChI=1S/C17H13F3N2O/c1-10-6-15-13(16(7-10)23-2)9-14(21-22-15)11-4-3-5-12(8-11)17(18,19)20/h3-9H,1-2H3
InChIKeyQAMXKRWGYCDVPY-UHFFFAOYSA-N
XLogP4.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-3-[3-(trifluoromethyl)phenyl]cinnolin-5-ol
CID 135458024
4-methoxy-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 19959667
8-methoxy-3-[3-(trifluoromethyl)phenyl]isoquinoline
CID 163359867
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene
CID 134627143
2-methoxy-7-methyl-5-[3-(trifluoromethyl)phenyl]quinoxaline
CID 15239013
5-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 162568225
1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119024630
3-methoxy-6-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 134627212
4-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 134628417
2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788028
4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627944

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-methyl-3-[3-(trifluoromethyl)phenyl]cinnoline?
The IUPAC name of 5-methoxy-7-methyl-3-[3-(trifluoromethyl)phenyl]cinnoline (CID 23086712) is 5-methoxy-7-methyl-3-[3-(trifluoromethyl)phenyl]cinnoline.
What is the SMILES notation for 5-methoxy-7-methyl-3-[3-(trifluoromethyl)phenyl]cinnoline?
The canonical SMILES for 5-methoxy-7-methyl-3-[3-(trifluoromethyl)phenyl]cinnoline is COc1cc(C)cc2nnc(-c3cccc(C(F)(F)F)c3)cc12.
What is the InChIKey of 5-methoxy-7-methyl-3-[3-(trifluoromethyl)phenyl]cinnoline?
The InChIKey is QAMXKRWGYCDVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c1-10-6-15-13(16(7-10)23-2)9-14(21-22-15)11-4-3-5-12(8-11)17(18,19)20/h3-9H,1-2H3.
What are the key properties of 5-methoxy-7-methyl-3-[3-(trifluoromethyl)phenyl]cinnoline?
5-methoxy-7-methyl-3-[3-(trifluoromethyl)phenyl]cinnoline has a molecular weight of 318.30 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-methyl-3-[3-(trifluoromethyl)phenyl]cinnoline is sourced from PubChem (CID 23086712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).