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

C24H20ClN3O4 — CID 11259460

IUPAC1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c2cc1OC
InChIInChI=1S/C24H20ClN3O4/c1-30-22-13-19-20(14-23(22)31-2)26-11-10-21(19)32-18-8-6-16(7-9-18)27-24(29)28-17-5-3-4-15(25)12-17/h3-14H,1-2H3,(H2,27,28,29)
InChIKeyRGAHTFBLOZYPNE-UHFFFAOYSA-N
MW449.89 g/mol
LogP6.34
Rot. Bonds6

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

1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea (PubChem CID 11259460) has the molecular formula C24H20ClN3O4 and a molecular weight of 449.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
PubChem CID11259460
Molecular FormulaC24H20ClN3O4
Molecular Weight449.89 g/mol
Exact Mass449.11
IUPAC Name1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c2cc1OC
InChIInChI=1S/C24H20ClN3O4/c1-30-22-13-19-20(14-23(22)31-2)26-11-10-21(19)32-18-8-6-16(7-9-18)27-24(29)28-17-5-3-4-15(25)12-17/h3-14H,1-2H3,(H2,27,28,29)
InChIKeyRGAHTFBLOZYPNE-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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea (CID 11259460) is 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea is COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c2cc1OC.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea?
The InChIKey is RGAHTFBLOZYPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O4/c1-30-22-13-19-20(14-23(22)31-2)26-11-10-21(19)32-18-8-6-16(7-9-18)27-24(29)28-17-5-3-4-15(25)12-17/h3-14H,1-2H3,(H2,27,28,29).
What are the key properties of 1-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea?
1-(3-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-(3-chlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea is sourced from PubChem (CID 11259460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).