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

C25H21N3O6 — CID 155671308

IUPAC2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)c2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)cc1
InChIInChI=1S/C25H21N3O6/c1-31-17-10-6-16(7-11-17)28-24(30)23(29)15-4-8-18(9-5-15)34-25-19-12-21(32-2)22(33-3)13-20(19)26-14-27-25/h4-14H,1-3H3,(H,28,30)
InChIKeyVWHJJGQUYIHINW-UHFFFAOYSA-N
MW459.46 g/mol
LogP4.27
Rot. Bonds8

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

2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide (PubChem CID 155671308) has the molecular formula C25H21N3O6 and a molecular weight of 459.46 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide
PubChem CID155671308
Molecular FormulaC25H21N3O6
Molecular Weight459.46 g/mol
Exact Mass459.14
IUPAC Name2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)c2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)cc1
InChIInChI=1S/C25H21N3O6/c1-31-17-10-6-16(7-11-17)28-24(30)23(29)15-4-8-18(9-5-15)34-25-19-12-21(32-2)22(33-3)13-20(19)26-14-27-25/h4-14H,1-3H3,(H,28,30)
InChIKeyVWHJJGQUYIHINW-UHFFFAOYSA-N
XLogP4.27
TPSA108.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-bromo-5-(trifluoromethyl)phenyl]-2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-oxoacetamide
CID 155671407
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 54582388
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 22637143
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxoacetamide
CID 155671320
1-(3-chloro-4-fluorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 54586238
N-[4-(2-cyanopropan-2-yl)phenyl]-2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2,6-difluorophenyl]-2-oxoacetamide
CID 155671403
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2,6-difluorophenyl]-N-(4-imidazol-1-ylphenyl)-2-oxoacetamide
CID 155671425
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide
CID 57396557
N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-2-iodobenzamide
CID 58738973
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride
CID 86238128
4-(6,7-dimethoxyquinazolin-4-yl)oxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 57394799

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide (CID 155671308) is 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide is COc1ccc(NC(=O)C(=O)c2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)cc1.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide?
The InChIKey is VWHJJGQUYIHINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O6/c1-31-17-10-6-16(7-11-17)28-24(30)23(29)15-4-8-18(9-5-15)34-25-19-12-21(32-2)22(33-3)13-20(19)26-14-27-25/h4-14H,1-3H3,(H,28,30).
What are the key properties of 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide?
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide has a molecular weight of 459.46 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 155671308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).