1-(2,4-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea

C24H19F2N3O4 — CID 11328439

IUPAC1-(2,4-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)c2cc1OC
InChIInChI=1S/C24H19F2N3O4/c1-31-22-12-17-20(13-23(22)32-2)27-10-9-21(17)33-16-6-4-15(5-7-16)28-24(30)29-19-8-3-14(25)11-18(19)26/h3-13H,1-2H3,(H2,28,29,30)
InChIKeyWEDWUMJCHQDOEH-UHFFFAOYSA-N
MW451.43 g/mol
LogP5.97
Rot. Bonds6

About 1-(2,4-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea

1-(2,4-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea (PubChem CID 11328439) has the molecular formula C24H19F2N3O4 and a molecular weight of 451.43 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
PubChem CID11328439
Molecular FormulaC24H19F2N3O4
Molecular Weight451.43 g/mol
Exact Mass451.13
IUPAC Name1-(2,4-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)c2cc1OC
InChIInChI=1S/C24H19F2N3O4/c1-31-22-12-17-20(13-23(22)32-2)27-10-9-21(17)33-16-6-4-15(5-7-16)28-24(30)29-19-8-3-14(25)11-18(19)26/h3-13H,1-2H3,(H2,28,29,30)
InChIKeyWEDWUMJCHQDOEH-UHFFFAOYSA-N
XLogP5.97
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.43
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea (CID 11328439) is 1-(2,4-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea is COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)c2cc1OC.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea?
The InChIKey is WEDWUMJCHQDOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O4/c1-31-22-12-17-20(13-23(22)32-2)27-10-9-21(17)33-16-6-4-15(5-7-16)28-24(30)29-19-8-3-14(25)11-18(19)26/h3-13H,1-2H3,(H2,28,29,30).
What are the key properties of 1-(2,4-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea?
1-(2,4-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea has a molecular weight of 451.43 g/mol, XLogP of 5.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea is sourced from PubChem (CID 11328439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).