1-(3,5-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea

C24H19Cl2N3O4 — CID 11409093

IUPAC1-(3,5-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(Cl)cc(Cl)c4)cc3)c2cc1OC
InChIInChI=1S/C24H19Cl2N3O4/c1-31-22-12-19-20(13-23(22)32-2)27-8-7-21(19)33-18-5-3-16(4-6-18)28-24(30)29-17-10-14(25)9-15(26)11-17/h3-13H,1-2H3,(H2,28,29,30)
InChIKeyDIKMXNTWZASZBL-UHFFFAOYSA-N
MW484.34 g/mol
LogP7.00
Rot. Bonds6

About 1-(3,5-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea

1-(3,5-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea (PubChem CID 11409093) has the molecular formula C24H19Cl2N3O4 and a molecular weight of 484.34 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
PubChem CID11409093
Molecular FormulaC24H19Cl2N3O4
Molecular Weight484.34 g/mol
Exact Mass483.08
IUPAC Name1-(3,5-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(Cl)cc(Cl)c4)cc3)c2cc1OC
InChIInChI=1S/C24H19Cl2N3O4/c1-31-22-12-19-20(13-23(22)32-2)27-8-7-21(19)33-18-5-3-16(4-6-18)28-24(30)29-17-10-14(25)9-15(26)11-17/h3-13H,1-2H3,(H2,28,29,30)
InChIKeyDIKMXNTWZASZBL-UHFFFAOYSA-N
XLogP7.00
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.34
LogP ≤ 57.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea (CID 11409093) is 1-(3,5-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea is COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(Cl)cc(Cl)c4)cc3)c2cc1OC.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea?
The InChIKey is DIKMXNTWZASZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O4/c1-31-22-12-19-20(13-23(22)32-2)27-8-7-21(19)33-18-5-3-16(4-6-18)28-24(30)29-17-10-14(25)9-15(26)11-17/h3-13H,1-2H3,(H2,28,29,30).
What are the key properties of 1-(3,5-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea?
1-(3,5-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea has a molecular weight of 484.34 g/mol, XLogP of 7.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea is sourced from PubChem (CID 11409093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).