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

C23H19ClN4O4 — CID 56675821

IUPAC1-(4-chlorophenyl)-3-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
SMILESCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4ccc(Cl)cc4)c3)c2cc1OC
InChIInChI=1S/C23H19ClN4O4/c1-30-20-11-18-19(12-21(20)31-2)25-13-26-22(18)32-17-5-3-4-16(10-17)28-23(29)27-15-8-6-14(24)7-9-15/h3-13H,1-2H3,(H2,27,28,29)
InChIKeySUAVWHXDRSHRAU-UHFFFAOYSA-N
MW450.88 g/mol
LogP5.74
Rot. Bonds6

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

1-(4-chlorophenyl)-3-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea (PubChem CID 56675821) has the molecular formula C23H19ClN4O4 and a molecular weight of 450.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
PubChem CID56675821
Molecular FormulaC23H19ClN4O4
Molecular Weight450.88 g/mol
Exact Mass450.11
IUPAC Name1-(4-chlorophenyl)-3-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
SMILESCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4ccc(Cl)cc4)c3)c2cc1OC
InChIInChI=1S/C23H19ClN4O4/c1-30-20-11-18-19(12-21(20)31-2)25-13-26-22(18)32-17-5-3-4-16(10-17)28-23(29)27-15-8-6-14(24)7-9-15/h3-13H,1-2H3,(H2,27,28,29)
InChIKeySUAVWHXDRSHRAU-UHFFFAOYSA-N
XLogP5.74
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.88
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea (CID 56675821) is 1-(4-chlorophenyl)-3-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea is COc1cc2ncnc(Oc3cccc(NC(=O)Nc4ccc(Cl)cc4)c3)c2cc1OC.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea?
The InChIKey is SUAVWHXDRSHRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O4/c1-30-20-11-18-19(12-21(20)31-2)25-13-26-22(18)32-17-5-3-4-16(10-17)28-23(29)27-15-8-6-14(24)7-9-15/h3-13H,1-2H3,(H2,27,28,29).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea?
1-(4-chlorophenyl)-3-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea has a molecular weight of 450.88 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea is sourced from PubChem (CID 56675821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).