2-ethyl-3-(trifluoromethoxy)quinoline-6-carboxylic acid

C13H10F3NO3 — CID 155306258

IUPAC2-ethyl-3-(trifluoromethoxy)quinoline-6-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cc2cc1OC(F)(F)F
InChIInChI=1S/C13H10F3NO3/c1-2-9-11(20-13(14,15)16)6-8-5-7(12(18)19)3-4-10(8)17-9/h3-6H,2H2,1H3,(H,18,19)
InChIKeyPLNSNKWRRAWSRV-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.39
Rot. Bonds3

About 2-ethyl-3-(trifluoromethoxy)quinoline-6-carboxylic acid

2-ethyl-3-(trifluoromethoxy)quinoline-6-carboxylic acid (PubChem CID 155306258) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is 2-ethyl-3-(trifluoromethoxy)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(trifluoromethoxy)quinoline-6-carboxylic acid
PubChem CID155306258
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Name2-ethyl-3-(trifluoromethoxy)quinoline-6-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cc2cc1OC(F)(F)F
InChIInChI=1S/C13H10F3NO3/c1-2-9-11(20-13(14,15)16)6-8-5-7(12(18)19)3-4-10(8)17-9/h3-6H,2H2,1H3,(H,18,19)
InChIKeyPLNSNKWRRAWSRV-UHFFFAOYSA-N
XLogP3.39
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-propoxy-4-(trifluoromethoxy)benzoic acid
CID 170682125
3-butyl-2-pentylquinoline-6-carboxylic acid
CID 139039359
6-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134680955
acridino[5,6-b]quinoline-3,10-dicarboxylic acid
CID 91152992
3-propan-2-yloxy-4-(trifluoromethoxy)benzoic acid
CID 164893526
6-amino-2-ethylquinoline-3-carboxylic acid
CID 158317833
3-prop-2-ynoxy-4-(trifluoromethoxy)benzoic acid
CID 170682084
methyl 4-ethyl-3-(trifluoromethoxy)benzoate
CID 59382476
2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4303527
2,3-bis(bromomethyl)quinoxaline-6-carboxylic acid
CID 118012642
3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzoic acid
CID 118392441
6-(chloromethyl)-2-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118826840

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(trifluoromethoxy)quinoline-6-carboxylic acid?
The IUPAC name of 2-ethyl-3-(trifluoromethoxy)quinoline-6-carboxylic acid (CID 155306258) is 2-ethyl-3-(trifluoromethoxy)quinoline-6-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(trifluoromethoxy)quinoline-6-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(trifluoromethoxy)quinoline-6-carboxylic acid is CCc1nc2ccc(C(=O)O)cc2cc1OC(F)(F)F.
What is the InChIKey of 2-ethyl-3-(trifluoromethoxy)quinoline-6-carboxylic acid?
The InChIKey is PLNSNKWRRAWSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3/c1-2-9-11(20-13(14,15)16)6-8-5-7(12(18)19)3-4-10(8)17-9/h3-6H,2H2,1H3,(H,18,19).
What are the key properties of 2-ethyl-3-(trifluoromethoxy)quinoline-6-carboxylic acid?
2-ethyl-3-(trifluoromethoxy)quinoline-6-carboxylic acid has a molecular weight of 285.22 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(trifluoromethoxy)quinoline-6-carboxylic acid is sourced from PubChem (CID 155306258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).