2-[4-(6,7-dimethoxy-5-methyl-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]acetamide

C21H23N3O5 — CID 137294846

IUPAC2-[4-(6,7-dimethoxy-5-methyl-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]acetamide
SMILESCOc1cc2nc(-c3cc(C)c(OCC(N)=O)c(C)c3)[nH]c(=O)c2c(C)c1OC
InChIInChI=1S/C21H23N3O5/c1-10-6-13(7-11(2)18(10)29-9-16(22)25)20-23-14-8-15(27-4)19(28-5)12(3)17(14)21(26)24-20/h6-8H,9H2,1-5H3,(H2,22,25)(H,23,24,26)
InChIKeyARVMSZWUYGFFIV-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.40
Rot. Bonds6

About 2-[4-(6,7-dimethoxy-5-methyl-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]acetamide

2-[4-(6,7-dimethoxy-5-methyl-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]acetamide (PubChem CID 137294846) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxy-5-methyl-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxy-5-methyl-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]acetamide
PubChem CID137294846
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name2-[4-(6,7-dimethoxy-5-methyl-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]acetamide
SMILESCOc1cc2nc(-c3cc(C)c(OCC(N)=O)c(C)c3)[nH]c(=O)c2c(C)c1OC
InChIInChI=1S/C21H23N3O5/c1-10-6-13(7-11(2)18(10)29-9-16(22)25)20-23-14-8-15(27-4)19(28-5)12(3)17(14)21(26)24-20/h6-8H,9H2,1-5H3,(H2,22,25)(H,23,24,26)
InChIKeyARVMSZWUYGFFIV-UHFFFAOYSA-N
XLogP2.40
TPSA116.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(6,7-dimethoxy-5-methyl-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenyl]propanamide
CID 136611317
3-[2-[2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]ethoxy]ethoxy]propanoic acid
CID 164785230
3-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]propane-1-sulfonic acid
CID 136501064
2-[4-(2-ethoxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one
CID 166705083
2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide
CID 168555021
ethane;2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methoxy-7-propyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 143728313
1-[2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]ethyl]-3-(C,N-dimethylcarbonimidoyl)urea
CID 136593461
2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]ethyl (5-methyl-2-sulfamoylthiophen-3-yl) carbonate
CID 175716467
2-[4-(2-anilinoethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one
CID 136642583
2-[2-methoxy-4-(3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)phenoxy]acetamide
CID 126000711
N-(3-chloro-4-morpholin-4-ylphenyl)-2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]acetamide
CID 166630869
2-[2-bromo-6-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
CID 135402375

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxy-5-methyl-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]acetamide?
The IUPAC name of 2-[4-(6,7-dimethoxy-5-methyl-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]acetamide (CID 137294846) is 2-[4-(6,7-dimethoxy-5-methyl-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]acetamide.
What is the SMILES notation for 2-[4-(6,7-dimethoxy-5-methyl-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]acetamide?
The canonical SMILES for 2-[4-(6,7-dimethoxy-5-methyl-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]acetamide is COc1cc2nc(-c3cc(C)c(OCC(N)=O)c(C)c3)[nH]c(=O)c2c(C)c1OC.
What is the InChIKey of 2-[4-(6,7-dimethoxy-5-methyl-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]acetamide?
The InChIKey is ARVMSZWUYGFFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-10-6-13(7-11(2)18(10)29-9-16(22)25)20-23-14-8-15(27-4)19(28-5)12(3)17(14)21(26)24-20/h6-8H,9H2,1-5H3,(H2,22,25)(H,23,24,26).
What are the key properties of 2-[4-(6,7-dimethoxy-5-methyl-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]acetamide?
2-[4-(6,7-dimethoxy-5-methyl-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]acetamide has a molecular weight of 397.43 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxy-5-methyl-4-oxo-3H-quinazolin-2-yl)-2,6-dimethylphenoxy]acetamide is sourced from PubChem (CID 137294846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).