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

C25H23N3O5 — CID 57396557

IUPAC2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1
InChIInChI=1S/C25H23N3O5/c1-30-19-6-4-5-17(12-19)28-24(29)11-16-7-9-18(10-8-16)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)
InChIKeyBFZLDRFGXXMKES-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.63
Rot. Bonds8

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

2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide (PubChem CID 57396557) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide
PubChem CID57396557
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1
InChIInChI=1S/C25H23N3O5/c1-30-19-6-4-5-17(12-19)28-24(29)11-16-7-9-18(10-8-16)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)
InChIKeyBFZLDRFGXXMKES-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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Related Compounds

N-[3-[(cyclopropylamino)methyl]-5-methoxyphenyl]-2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetamide
CID 66907457
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride
CID 86238128
2-[4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 57393063
4-(6,7-dimethoxyquinazolin-4-yl)oxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 57394799
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 66906894
N-hydroxy-2-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]acetamide
CID 172991562
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155671308
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 54582388
2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 11626865
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide
CID 69081246
tert-butyl N-[6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl]amino]-3-pyridinyl]-N-propan-2-ylcarbamate
CID 66907423

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide (CID 57396557) is 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is BFZLDRFGXXMKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-30-19-6-4-5-17(12-19)28-24(29)11-16-7-9-18(10-8-16)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-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide?
2-[4-(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-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 57396557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).