8-methoxy-5-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid

C13H10F3NO3 — CID 16779833

IUPAC8-methoxy-5-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid
SMILESCOc1ccc(C)c2c(C(F)(F)F)c(C(=O)O)cnc12
InChIInChI=1S/C13H10F3NO3/c1-6-3-4-8(20-2)11-9(6)10(13(14,15)16)7(5-17-11)12(18)19/h3-5H,1-2H3,(H,18,19)
InChIKeyLAQUZDILLMGDCS-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.27
Rot. Bonds2

About 8-methoxy-5-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid

8-methoxy-5-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid (PubChem CID 16779833) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is 8-methoxy-5-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-5-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid
PubChem CID16779833
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Name8-methoxy-5-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid
SMILESCOc1ccc(C)c2c(C(F)(F)F)c(C(=O)O)cnc12
InChIInChI=1S/C13H10F3NO3/c1-6-3-4-8(20-2)11-9(6)10(13(14,15)16)7(5-17-11)12(18)19/h3-5H,1-2H3,(H,18,19)
InChIKeyLAQUZDILLMGDCS-UHFFFAOYSA-N
XLogP3.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-8-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid
CID 16779843
1-[6-methoxy-3-methyl-2-(trifluoromethyl)phenyl]ethanone
CID 170996815
2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184159
2-tert-butyl-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184134
ethyl 4-amino-5,8-dimethoxyquinoline-3-carboxylate
CID 46397829
4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 142592641
5-chloro-4-(trifluoromethyl)-6-trimethylsilylpyridine-3-carboxylic acid
CID 11231809
6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118814694
4-bromo-3-chloro-8-methoxy-5-methylquinoline
CID 114763949
4-chloro-3-iodo-8-methoxy-5-methylquinoline
CID 102614076
4-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134680069
8-methoxy-4,5-dimethylquinazoline
CID 142290998

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid?
The IUPAC name of 8-methoxy-5-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid (CID 16779833) is 8-methoxy-5-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 8-methoxy-5-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid?
The canonical SMILES for 8-methoxy-5-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid is COc1ccc(C)c2c(C(F)(F)F)c(C(=O)O)cnc12.
What is the InChIKey of 8-methoxy-5-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid?
The InChIKey is LAQUZDILLMGDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3/c1-6-3-4-8(20-2)11-9(6)10(13(14,15)16)7(5-17-11)12(18)19/h3-5H,1-2H3,(H,18,19).
What are the key properties of 8-methoxy-5-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid?
8-methoxy-5-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid has a molecular weight of 285.22 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyl-4-(trifluoromethyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 16779833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).