3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-1-ethyl-1-propylurea

C22H25ClN4O4 — CID 22667077

IUPAC3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-1-ethyl-1-propylurea
SMILESCCCN(CC)C(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl
InChIInChI=1S/C22H25ClN4O4/c1-5-9-27(6-2)22(28)26-17-8-7-14(10-16(17)23)31-21-15-11-19(29-3)20(30-4)12-18(15)24-13-25-21/h7-8,10-13H,5-6,9H2,1-4H3,(H,26,28)
InChIKeyDLAIAGAMYVYLMR-UHFFFAOYSA-N
MW444.92 g/mol
LogP5.36
Rot. Bonds8

About 3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-1-ethyl-1-propylurea

3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-1-ethyl-1-propylurea (PubChem CID 22667077) has the molecular formula C22H25ClN4O4 and a molecular weight of 444.92 g/mol. Its IUPAC name is 3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-1-ethyl-1-propylurea.

Molecular Properties

Compound Name3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-1-ethyl-1-propylurea
PubChem CID22667077
Molecular FormulaC22H25ClN4O4
Molecular Weight444.92 g/mol
Exact Mass444.16
IUPAC Name3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-1-ethyl-1-propylurea
SMILESCCCN(CC)C(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl
InChIInChI=1S/C22H25ClN4O4/c1-5-9-27(6-2)22(28)26-17-8-7-14(10-16(17)23)31-21-15-11-19(29-3)20(30-4)12-18(15)24-13-25-21/h7-8,10-13H,5-6,9H2,1-4H3,(H,26,28)
InChIKeyDLAIAGAMYVYLMR-UHFFFAOYSA-N
XLogP5.36
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.92
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-chloro-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxyphenyl]-3-(4-methylphenyl)urea
CID 164900895
1-[2-chloro-4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-propylurea
CID 22667231
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 54582388
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride
CID 86238128
1-(3-chloro-4-fluorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 54586238
1-[2-chloro-4-[6-methoxy-7-[3-(2-oxa-7-azaspiro[3.4]octan-7-yl)propoxy]quinazolin-4-yl]oxyphenyl]-3-propylurea
CID 78318786
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241
1-[2-chloro-4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 164900961
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155671308
[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate
CID 154966615
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide
CID 57396557
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 22637143

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-1-ethyl-1-propylurea?
The IUPAC name of 3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-1-ethyl-1-propylurea (CID 22667077) is 3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-1-ethyl-1-propylurea.
What is the SMILES notation for 3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-1-ethyl-1-propylurea?
The canonical SMILES for 3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-1-ethyl-1-propylurea is CCCN(CC)C(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl.
What is the InChIKey of 3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-1-ethyl-1-propylurea?
The InChIKey is DLAIAGAMYVYLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O4/c1-5-9-27(6-2)22(28)26-17-8-7-14(10-16(17)23)31-21-15-11-19(29-3)20(30-4)12-18(15)24-13-25-21/h7-8,10-13H,5-6,9H2,1-4H3,(H,26,28).
What are the key properties of 3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-1-ethyl-1-propylurea?
3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-1-ethyl-1-propylurea has a molecular weight of 444.92 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-1-ethyl-1-propylurea is sourced from PubChem (CID 22667077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).