1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea

C25H20F3N3O4 — CID 54212873

IUPAC1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea
SMILESCOc1cc2nccc(Oc3ccc(N(C(N)=O)c4ccc(C(F)(F)F)cc4)cc3)c2cc1OC
InChIInChI=1S/C25H20F3N3O4/c1-33-22-13-19-20(14-23(22)34-2)30-12-11-21(19)35-18-9-7-17(8-10-18)31(24(29)32)16-5-3-15(4-6-16)25(26,27)28/h3-14H,1-2H3,(H2,29,32)
InChIKeyPXDRSCWXTCWHDF-UHFFFAOYSA-N
MW483.45 g/mol
LogP6.28
Rot. Bonds6

About 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea

1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea (PubChem CID 54212873) has the molecular formula C25H20F3N3O4 and a molecular weight of 483.45 g/mol. Its IUPAC name is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea
PubChem CID54212873
Molecular FormulaC25H20F3N3O4
Molecular Weight483.45 g/mol
Exact Mass483.14
IUPAC Name1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea
SMILESCOc1cc2nccc(Oc3ccc(N(C(N)=O)c4ccc(C(F)(F)F)cc4)cc3)c2cc1OC
InChIInChI=1S/C25H20F3N3O4/c1-33-22-13-19-20(14-23(22)34-2)30-12-11-21(19)35-18-9-7-17(8-10-18)31(24(29)32)16-5-3-15(4-6-16)25(26,27)28/h3-14H,1-2H3,(H2,29,32)
InChIKeyPXDRSCWXTCWHDF-UHFFFAOYSA-N
XLogP6.28
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.45
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoic acid
CID 67264759
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone
CID 22132745
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
7-(6,7-dimethoxyquinolin-4-yl)oxy-3-[4-(trifluoromethyl)-2-pyridinyl]naphthalene-2-carboxamide
CID 142776505
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)-1-methylurea
CID 22132699
1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;pentanedioic acid
CID 175547685
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936372
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea
CID 139799425

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea (CID 54212873) is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea is COc1cc2nccc(Oc3ccc(N(C(N)=O)c4ccc(C(F)(F)F)cc4)cc3)c2cc1OC.
What is the InChIKey of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is PXDRSCWXTCWHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O4/c1-33-22-13-19-20(14-23(22)34-2)30-12-11-21(19)35-18-9-7-17(8-10-18)31(24(29)32)16-5-3-15(4-6-16)25(26,27)28/h3-14H,1-2H3,(H2,29,32).
What are the key properties of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea?
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 483.45 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 54212873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).