2-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide

C25H23N3O5 — CID 57403518

IUPAC2-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)c1
InChIInChI=1S/C25H23N3O5/c1-30-18-8-5-7-17(12-18)28-24(29)11-16-6-4-9-19(10-16)33-25-20-13-22(31-2)23(32-3)14-21(20)26-15-27-25/h4-10,12-15H,11H2,1-3H3,(H,28,29)
InChIKeyOOXUOKDYYPUDQY-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.63
Rot. Bonds8

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

2-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide (PubChem CID 57403518) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 2-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide
PubChem CID57403518
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name2-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)c1
InChIInChI=1S/C25H23N3O5/c1-30-18-8-5-7-17(12-18)28-24(29)11-16-6-4-9-19(10-16)33-25-20-13-22(31-2)23(32-3)14-21(20)26-15-27-25/h4-10,12-15H,11H2,1-3H3,(H,28,29)
InChIKeyOOXUOKDYYPUDQY-UHFFFAOYSA-N
XLogP4.63
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide (CID 57403518) is 2-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)c1.
What is the InChIKey of 2-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is OOXUOKDYYPUDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-30-18-8-5-7-17(12-18)28-24(29)11-16-6-4-9-19(10-16)33-25-20-13-22(31-2)23(32-3)14-21(20)26-15-27-25/h4-10,12-15H,11H2,1-3H3,(H,28,29).
What are the key properties of 2-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide?
2-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 445.48 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 57403518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).