2-[4-methoxy-6-(trifluoromethoxy)quinolin-2-yl]acetic acid

C13H10F3NO4 — CID 39234576

IUPAC2-[4-methoxy-6-(trifluoromethoxy)quinolin-2-yl]acetic acid
SMILESCOc1cc(CC(=O)O)nc2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C13H10F3NO4/c1-20-11-4-7(5-12(18)19)17-10-3-2-8(6-9(10)11)21-13(14,15)16/h2-4,6H,5H2,1H3,(H,18,19)
InChIKeyHIRHAQDJFNQRNJ-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.77
Rot. Bonds4

About 2-[4-methoxy-6-(trifluoromethoxy)quinolin-2-yl]acetic acid

2-[4-methoxy-6-(trifluoromethoxy)quinolin-2-yl]acetic acid (PubChem CID 39234576) has the molecular formula C13H10F3NO4 and a molecular weight of 301.22 g/mol. Its IUPAC name is 2-[4-methoxy-6-(trifluoromethoxy)quinolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methoxy-6-(trifluoromethoxy)quinolin-2-yl]acetic acid
PubChem CID39234576
Molecular FormulaC13H10F3NO4
Molecular Weight301.22 g/mol
Exact Mass301.06
IUPAC Name2-[4-methoxy-6-(trifluoromethoxy)quinolin-2-yl]acetic acid
SMILESCOc1cc(CC(=O)O)nc2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C13H10F3NO4/c1-20-11-4-7(5-12(18)19)17-10-3-2-8(6-9(10)11)21-13(14,15)16/h2-4,6H,5H2,1H3,(H,18,19)
InChIKeyHIRHAQDJFNQRNJ-UHFFFAOYSA-N
XLogP2.77
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170997187
2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid
CID 170998746
2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574913
2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118837693
2-[2-(2,5-dimethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 4588074
2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid
CID 170997113
2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid
CID 82449826
2-[5-methoxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134670335
2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4223701
2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4303527
N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide
CID 82574511
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-6-(trifluoromethoxy)quinolin-2-yl]acetic acid?
The IUPAC name of 2-[4-methoxy-6-(trifluoromethoxy)quinolin-2-yl]acetic acid (CID 39234576) is 2-[4-methoxy-6-(trifluoromethoxy)quinolin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-methoxy-6-(trifluoromethoxy)quinolin-2-yl]acetic acid?
The canonical SMILES for 2-[4-methoxy-6-(trifluoromethoxy)quinolin-2-yl]acetic acid is COc1cc(CC(=O)O)nc2ccc(OC(F)(F)F)cc12.
What is the InChIKey of 2-[4-methoxy-6-(trifluoromethoxy)quinolin-2-yl]acetic acid?
The InChIKey is HIRHAQDJFNQRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO4/c1-20-11-4-7(5-12(18)19)17-10-3-2-8(6-9(10)11)21-13(14,15)16/h2-4,6H,5H2,1H3,(H,18,19).
What are the key properties of 2-[4-methoxy-6-(trifluoromethoxy)quinolin-2-yl]acetic acid?
2-[4-methoxy-6-(trifluoromethoxy)quinolin-2-yl]acetic acid has a molecular weight of 301.22 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-6-(trifluoromethoxy)quinolin-2-yl]acetic acid is sourced from PubChem (CID 39234576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).