2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

C21H23N3O5 — CID 46484361

IUPAC2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)Cn1cnc2ccc(C)cc2c1=O
InChIInChI=1S/C21H23N3O5/c1-13-5-6-16-15(7-13)21(26)24(12-23-16)11-20(25)22-10-14-8-18(28-3)19(29-4)9-17(14)27-2/h5-9,12H,10-11H2,1-4H3,(H,22,25)
InChIKeyAUAMFHPJJMSIMC-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.05
Rot. Bonds7

About 2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 46484361) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID46484361
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)Cn1cnc2ccc(C)cc2c1=O
InChIInChI=1S/C21H23N3O5/c1-13-5-6-16-15(7-13)21(26)24(12-23-16)11-20(25)22-10-14-8-18(28-3)19(29-4)9-17(14)27-2/h5-9,12H,10-11H2,1-4H3,(H,22,25)
InChIKeyAUAMFHPJJMSIMC-UHFFFAOYSA-N
XLogP2.05
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

3-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 24622378
N-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
CID 166238740
3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one
CID 46484257
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7587587
2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 55733123
3-(3,3-dimethyl-2-oxobutyl)-6-methylquinazolin-4-one
CID 47037899
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyethyl)acetamide
CID 7886604
2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 5048859
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 155755483
6-methyl-3-(methylaminomethyl)quinazolin-4-one
CID 117264007
2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55733182
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(4-methylphenoxy)butyl]acetamide
CID 55799689

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (CID 46484361) is 2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(OC)c(OC)cc1CNC(=O)Cn1cnc2ccc(C)cc2c1=O.
What is the InChIKey of 2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is AUAMFHPJJMSIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-13-5-6-16-15(7-13)21(26)24(12-23-16)11-20(25)22-10-14-8-18(28-3)19(29-4)9-17(14)27-2/h5-9,12H,10-11H2,1-4H3,(H,22,25).
What are the key properties of 2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 397.43 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 46484361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).