4-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]butanoic acid

C22H20F3NO4 — CID 139922040

IUPAC4-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]butanoic acid
SMILESCOc1cc(C(F)(F)F)nc2ccc(COc3ccccc3CCCC(=O)O)cc12
InChIInChI=1S/C22H20F3NO4/c1-29-19-12-20(22(23,24)25)26-17-10-9-14(11-16(17)19)13-30-18-7-3-2-5-15(18)6-4-8-21(27)28/h2-3,5,7,9-12H,4,6,8,13H2,1H3,(H,27,28)
InChIKeyCLQHNQIFSZHLGY-UHFFFAOYSA-N
MW419.40 g/mol
LogP5.25
Rot. Bonds8

About 4-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]butanoic acid

4-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]butanoic acid (PubChem CID 139922040) has the molecular formula C22H20F3NO4 and a molecular weight of 419.40 g/mol. Its IUPAC name is 4-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]butanoic acid
PubChem CID139922040
Molecular FormulaC22H20F3NO4
Molecular Weight419.40 g/mol
Exact Mass419.13
IUPAC Name4-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]butanoic acid
SMILESCOc1cc(C(F)(F)F)nc2ccc(COc3ccccc3CCCC(=O)O)cc12
InChIInChI=1S/C22H20F3NO4/c1-29-19-12-20(22(23,24)25)26-17-10-9-14(11-16(17)19)13-30-18-7-3-2-5-15(18)6-4-8-21(27)28/h2-3,5,7,9-12H,4,6,8,13H2,1H3,(H,27,28)
InChIKeyCLQHNQIFSZHLGY-UHFFFAOYSA-N
XLogP5.25
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.40
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]butanoic acid with MolForge

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Related Compounds

2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
(inverted exclamation markA)-BI-D
CID 71592850
(2s)-Tert-Butoxy[4-(8-Fluoro-5-Methyl-3,4-Dihydro-2h-Chromen-6-Yl)-2-Methylquinolin-3-Yl]ethanoic Acid
CID 44198672
(2s)-Tert-Butoxy[4-(3,4-Dihydro-2h-Chromen-6-Yl)-2-Methylquinolin-3-Yl]ethanoic Acid
CID 44199168
2-(4-((8-(3-(Difluoromethoxy)phenyl)quinolin-6-yl)methoxy)phenyl)acetic acid
CID 46933993
2-(4-Propoxyphenyl)quinoline-4-carboxylic acid
CID 1913233
2-(2,4-Diethoxyphenyl)quinoline-4-carboxylic acid
CID 753136
6-[4-(4-Amino-phenyl)-quinolin-2-yloxy]-2,2-dimethyl-hexanoic acid
CID 9999718
6-[(4-Phenyl-2-quinolyl)oxy]hexanoic acid
CID 10019853
2-Methyl-6-(4-phenyl-quinolin-2-yloxy)-hexanoic acid
CID 10247237
2,2-Dimethyl-6-(4-phenyl-quinolin-2-yloxy)-hexanoic acid
CID 10248148
2,2-Dimethyl-6-{[4-(4-nitrophenyl)-2-quinolyl]oxy}hexanoic acid
CID 10250881

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]butanoic acid?
The IUPAC name of 4-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]butanoic acid (CID 139922040) is 4-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]butanoic acid.
What is the SMILES notation for 4-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]butanoic acid?
The canonical SMILES for 4-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]butanoic acid is COc1cc(C(F)(F)F)nc2ccc(COc3ccccc3CCCC(=O)O)cc12.
What is the InChIKey of 4-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]butanoic acid?
The InChIKey is CLQHNQIFSZHLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO4/c1-29-19-12-20(22(23,24)25)26-17-10-9-14(11-16(17)19)13-30-18-7-3-2-5-15(18)6-4-8-21(27)28/h2-3,5,7,9-12H,4,6,8,13H2,1H3,(H,27,28).
What are the key properties of 4-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]butanoic acid?
4-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]butanoic acid has a molecular weight of 419.40 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]butanoic acid is sourced from PubChem (CID 139922040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).