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

C24H22N4O5 — CID 11155047

IUPAC1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)cc1
InChIInChI=1S/C24H22N4O5/c1-30-17-8-4-15(5-9-17)27-24(29)28-16-6-10-18(11-7-16)33-23-19-12-21(31-2)22(32-3)13-20(19)25-14-26-23/h4-14H,1-3H3,(H2,27,28,29)
InChIKeyUQLOTEZFDHTNMJ-UHFFFAOYSA-N
MW446.46 g/mol
LogP5.09
Rot. Bonds7

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

1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)urea (PubChem CID 11155047) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)urea
PubChem CID11155047
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)cc1
InChIInChI=1S/C24H22N4O5/c1-30-17-8-4-15(5-9-17)27-24(29)28-16-6-10-18(11-7-16)33-23-19-12-21(31-2)22(32-3)13-20(19)25-14-26-23/h4-14H,1-3H3,(H2,27,28,29)
InChIKeyUQLOTEZFDHTNMJ-UHFFFAOYSA-N
XLogP5.09
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.46
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)urea (CID 11155047) is 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)cc1.
What is the InChIKey of 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)urea?
The InChIKey is UQLOTEZFDHTNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-30-17-8-4-15(5-9-17)27-24(29)28-16-6-10-18(11-7-16)33-23-19-12-21(31-2)22(32-3)13-20(19)25-14-26-23/h4-14H,1-3H3,(H2,27,28,29).
What are the key properties of 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)urea?
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)urea has a molecular weight of 446.46 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 11155047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).