[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone

C25H18F3NO5 — CID 22132745

IUPAC[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESCOc1cc2nccc(Oc3ccc(C(=O)c4ccc(OC(F)(F)F)cc4)cc3)c2cc1OC
InChIInChI=1S/C25H18F3NO5/c1-31-22-13-19-20(14-23(22)32-2)29-12-11-21(19)33-17-7-3-15(4-8-17)24(30)16-5-9-18(10-6-16)34-25(26,27)28/h3-14H,1-2H3
InChIKeyUDMZROKJAWPPGY-UHFFFAOYSA-N
MW469.42 g/mol
LogP6.17
Rot. Bonds7

About [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone

[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 22132745) has the molecular formula C25H18F3NO5 and a molecular weight of 469.42 g/mol. Its IUPAC name is [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID22132745
Molecular FormulaC25H18F3NO5
Molecular Weight469.42 g/mol
Exact Mass469.11
IUPAC Name[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESCOc1cc2nccc(Oc3ccc(C(=O)c4ccc(OC(F)(F)F)cc4)cc3)c2cc1OC
InChIInChI=1S/C25H18F3NO5/c1-31-22-13-19-20(14-23(22)32-2)29-12-11-21(19)33-17-7-3-15(4-8-17)24(30)16-5-9-18(10-6-16)34-25(26,27)28/h3-14H,1-2H3
InChIKeyUDMZROKJAWPPGY-UHFFFAOYSA-N
XLogP6.17
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.42
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone with MolForge

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Related Compounds

4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 11387053
(2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone
CID 22132797
1-[4-[7-[7-(2-hydroxyhydrazinyl)-7-oxoheptoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 175608816
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 11376060
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea
CID 54212873
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
methane;4,6,7-trimethoxyquinoline
CID 157066291

Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone (CID 22132745) is [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone is COc1cc2nccc(Oc3ccc(C(=O)c4ccc(OC(F)(F)F)cc4)cc3)c2cc1OC.
What is the InChIKey of [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is UDMZROKJAWPPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3NO5/c1-31-22-13-19-20(14-23(22)32-2)29-12-11-21(19)33-17-7-3-15(4-8-17)24(30)16-5-9-18(10-6-16)34-25(26,27)28/h3-14H,1-2H3.
What are the key properties of [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone?
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 469.42 g/mol, XLogP of 6.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 22132745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).