7-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]heptanoic acid

C25H26F3NO4 — CID 139922020

IUPAC7-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]heptanoic acid
SMILESCOc1cc(C(F)(F)F)nc2ccc(COc3ccccc3CCCCCCC(=O)O)cc12
InChIInChI=1S/C25H26F3NO4/c1-32-22-15-23(25(26,27)28)29-20-13-12-17(14-19(20)22)16-33-21-10-7-6-9-18(21)8-4-2-3-5-11-24(30)31/h6-7,9-10,12-15H,2-5,8,11,16H2,1H3,(H,30,31)
InChIKeyOQKRZWNABCDFKS-UHFFFAOYSA-N
MW461.48 g/mol
LogP6.42
Rot. Bonds11

About 7-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]heptanoic acid

7-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]heptanoic acid (PubChem CID 139922020) has the molecular formula C25H26F3NO4 and a molecular weight of 461.48 g/mol. Its IUPAC name is 7-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]heptanoic acid.

Molecular Properties

Compound Name7-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]heptanoic acid
PubChem CID139922020
Molecular FormulaC25H26F3NO4
Molecular Weight461.48 g/mol
Exact Mass461.18
IUPAC Name7-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]heptanoic acid
SMILESCOc1cc(C(F)(F)F)nc2ccc(COc3ccccc3CCCCCCC(=O)O)cc12
InChIInChI=1S/C25H26F3NO4/c1-32-22-15-23(25(26,27)28)29-20-13-12-17(14-19(20)22)16-33-21-10-7-6-9-18(21)8-4-2-3-5-11-24(30)31/h6-7,9-10,12-15H,2-5,8,11,16H2,1H3,(H,30,31)
InChIKeyOQKRZWNABCDFKS-UHFFFAOYSA-N
XLogP6.42
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.48
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]heptanoic acid with MolForge

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Related Compounds

(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
6-[4-(4-Methoxy-phenyl)-quinolin-2-yloxy]-2,2-dimethyl-hexanoic acid
CID 10385899
2,2-Dimethyl-6-(4-p-tolyl-quinolin-2-yloxy)-hexanoic acid
CID 10407251

Frequently Asked Questions

What is the IUPAC name of 7-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]heptanoic acid?
The IUPAC name of 7-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]heptanoic acid (CID 139922020) is 7-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]heptanoic acid.
What is the SMILES notation for 7-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]heptanoic acid?
The canonical SMILES for 7-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]heptanoic acid is COc1cc(C(F)(F)F)nc2ccc(COc3ccccc3CCCCCCC(=O)O)cc12.
What is the InChIKey of 7-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]heptanoic acid?
The InChIKey is OQKRZWNABCDFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3NO4/c1-32-22-15-23(25(26,27)28)29-20-13-12-17(14-19(20)22)16-33-21-10-7-6-9-18(21)8-4-2-3-5-11-24(30)31/h6-7,9-10,12-15H,2-5,8,11,16H2,1H3,(H,30,31).
What are the key properties of 7-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]heptanoic acid?
7-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]heptanoic acid has a molecular weight of 461.48 g/mol, XLogP of 6.42, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]heptanoic acid is sourced from PubChem (CID 139922020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).