1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea

C24H22N4O5 — CID 22667241

IUPAC1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C24H22N4O5/c1-30-20-7-5-4-6-18(20)28-24(29)27-15-8-10-16(11-9-15)33-23-17-12-21(31-2)22(32-3)13-19(17)25-14-26-23/h4-14H,1-3H3,(H2,27,28,29)
InChIKeyUSEMMOPEUFKDIL-UHFFFAOYSA-N
MW446.46 g/mol
LogP5.09
Rot. Bonds7

About 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea

1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea (PubChem CID 22667241) 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-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
PubChem CID22667241
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C24H22N4O5/c1-30-20-7-5-4-6-18(20)28-24(29)27-15-8-10-16(11-9-15)33-23-17-12-21(31-2)22(32-3)13-19(17)25-14-26-23/h4-14H,1-3H3,(H2,27,28,29)
InChIKeyUSEMMOPEUFKDIL-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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Related Compounds

1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 22637143
1-(3-chloro-4-fluorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 54586238
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea
CID 22935499
1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 21092461
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 54582388
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155671308
1-[2-chloro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methylphenyl)urea
CID 164900895
N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-2-iodobenzamide
CID 58738973
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide
CID 57396557
1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 58738951
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 155206373

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea (CID 22667241) is 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea?
The InChIKey is USEMMOPEUFKDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-30-20-7-5-4-6-18(20)28-24(29)27-15-8-10-16(11-9-15)33-23-17-12-21(31-2)22(32-3)13-19(17)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-(2-methoxyphenyl)urea?
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-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-(2-methoxyphenyl)urea is sourced from PubChem (CID 22667241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).