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

C24H20ClN3O4 — CID 11213083

IUPAC1-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)c2cc1OC
InChIInChI=1S/C24H20ClN3O4/c1-30-22-13-19-20(14-23(22)31-2)26-12-11-21(19)32-18-9-7-17(8-10-18)28-24(29)27-16-5-3-15(25)4-6-16/h3-14H,1-2H3,(H2,27,28,29)
InChIKeyURESLPMFUBHALD-UHFFFAOYSA-N
MW449.89 g/mol
LogP6.34
Rot. Bonds6

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

1-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea (PubChem CID 11213083) has the molecular formula C24H20ClN3O4 and a molecular weight of 449.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
PubChem CID11213083
Molecular FormulaC24H20ClN3O4
Molecular Weight449.89 g/mol
Exact Mass449.11
IUPAC Name1-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)c2cc1OC
InChIInChI=1S/C24H20ClN3O4/c1-30-22-13-19-20(14-23(22)31-2)26-12-11-21(19)32-18-9-7-17(8-10-18)28-24(29)27-16-5-3-15(25)4-6-16/h3-14H,1-2H3,(H2,27,28,29)
InChIKeyURESLPMFUBHALD-UHFFFAOYSA-N
XLogP6.34
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.89
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea (CID 11213083) is 1-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea is COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)c2cc1OC.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea?
The InChIKey is URESLPMFUBHALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O4/c1-30-22-13-19-20(14-23(22)31-2)26-12-11-21(19)32-18-9-7-17(8-10-18)28-24(29)27-16-5-3-15(25)4-6-16/h3-14H,1-2H3,(H2,27,28,29).
What are the key properties of 1-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea?
1-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea has a molecular weight of 449.89 g/mol, XLogP of 6.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea is sourced from PubChem (CID 11213083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).