3-methoxy-4-methyl-2-(trifluoromethyl)quinolin-6-ol

C12H10F3NO2 — CID 123398426

IUPAC3-methoxy-4-methyl-2-(trifluoromethyl)quinolin-6-ol
SMILESCOc1c(C(F)(F)F)nc2ccc(O)cc2c1C
InChIInChI=1S/C12H10F3NO2/c1-6-8-5-7(17)3-4-9(8)16-11(10(6)18-2)12(13,14)15/h3-5,17H,1-2H3
InChIKeyDORPGWCVJOPSOA-UHFFFAOYSA-N
MW257.21 g/mol
LogP3.28
Rot. Bonds1

About 3-methoxy-4-methyl-2-(trifluoromethyl)quinolin-6-ol

3-methoxy-4-methyl-2-(trifluoromethyl)quinolin-6-ol (PubChem CID 123398426) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 3-methoxy-4-methyl-2-(trifluoromethyl)quinolin-6-ol.

Molecular Properties

Compound Name3-methoxy-4-methyl-2-(trifluoromethyl)quinolin-6-ol
PubChem CID123398426
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name3-methoxy-4-methyl-2-(trifluoromethyl)quinolin-6-ol
SMILESCOc1c(C(F)(F)F)nc2ccc(O)cc2c1C
InChIInChI=1S/C12H10F3NO2/c1-6-8-5-7(17)3-4-9(8)16-11(10(6)18-2)12(13,14)15/h3-5,17H,1-2H3
InChIKeyDORPGWCVJOPSOA-UHFFFAOYSA-N
XLogP3.28
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxy-2-(trifluoromethyl)quinoline
CID 69305906
6-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743568
2-iodo-3-(trifluoromethyl)quinoxalin-6-ol
CID 148988087
2-[4-(trifluoromethoxy)anilino]-4-(trifluoromethyl)quinazolin-6-ol
CID 171779400
3-[4-[6-hydroxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2-(trifluoromethyl)quinolin-6-ol
CID 100950760
4-amino-2-(trifluoromethyl)quinolin-6-ol
CID 170250530
6-hydroxy-4-(trifluoromethyl)-3H-quinazolin-2-one
CID 105487475
methyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate
CID 97033673
6-methoxy-2,4-dimethylquinolin-3-ol
CID 123803220
[6,7-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 63744262
6-hydroxy-4-methoxyquinazoline-2-carbaldehyde
CID 84777721
methyl 3-hydroxyacridine-9-carboxylate
CID 135618678

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-2-(trifluoromethyl)quinolin-6-ol?
The IUPAC name of 3-methoxy-4-methyl-2-(trifluoromethyl)quinolin-6-ol (CID 123398426) is 3-methoxy-4-methyl-2-(trifluoromethyl)quinolin-6-ol.
What is the SMILES notation for 3-methoxy-4-methyl-2-(trifluoromethyl)quinolin-6-ol?
The canonical SMILES for 3-methoxy-4-methyl-2-(trifluoromethyl)quinolin-6-ol is COc1c(C(F)(F)F)nc2ccc(O)cc2c1C.
What is the InChIKey of 3-methoxy-4-methyl-2-(trifluoromethyl)quinolin-6-ol?
The InChIKey is DORPGWCVJOPSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c1-6-8-5-7(17)3-4-9(8)16-11(10(6)18-2)12(13,14)15/h3-5,17H,1-2H3.
What are the key properties of 3-methoxy-4-methyl-2-(trifluoromethyl)quinolin-6-ol?
3-methoxy-4-methyl-2-(trifluoromethyl)quinolin-6-ol has a molecular weight of 257.21 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-2-(trifluoromethyl)quinolin-6-ol is sourced from PubChem (CID 123398426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).