2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide

C21H22N4O6 — CID 5048859

IUPAC2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNC(=O)Cn2cnc3ccccc3c2=O)cc(OC)c1OC
InChIInChI=1S/C21H22N4O6/c1-29-16-8-13(9-17(30-2)20(16)31-3)24-18(26)10-22-19(27)11-25-12-23-15-7-5-4-6-14(15)21(25)28/h4-9,12H,10-11H2,1-3H3,(H,22,27)(H,24,26)
InChIKeyKYAZTEYKGMONDY-UHFFFAOYSA-N
MW426.43 g/mol
LogP1.18
Rot. Bonds8

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

2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 5048859) has the molecular formula C21H22N4O6 and a molecular weight of 426.43 g/mol. Its IUPAC name is 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID5048859
Molecular FormulaC21H22N4O6
Molecular Weight426.43 g/mol
Exact Mass426.15
IUPAC Name2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNC(=O)Cn2cnc3ccccc3c2=O)cc(OC)c1OC
InChIInChI=1S/C21H22N4O6/c1-29-16-8-13(9-17(30-2)20(16)31-3)24-18(26)10-22-19(27)11-25-12-23-15-7-5-4-6-14(15)21(25)28/h4-9,12H,10-11H2,1-3H3,(H,22,27)(H,24,26)
InChIKeyKYAZTEYKGMONDY-UHFFFAOYSA-N
XLogP1.18
TPSA120.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
N-(2,5-dimethoxyphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 3237928
N-(3-chlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 4126183
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 46426810
N-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 9440401
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26465780
N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 122302050
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
N-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 21231739

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 5048859) is 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CNC(=O)Cn2cnc3ccccc3c2=O)cc(OC)c1OC.
What is the InChIKey of 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is KYAZTEYKGMONDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O6/c1-29-16-8-13(9-17(30-2)20(16)31-3)24-18(26)10-22-19(27)11-25-12-23-15-7-5-4-6-14(15)21(25)28/h4-9,12H,10-11H2,1-3H3,(H,22,27)(H,24,26).
What are the key properties of 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 426.43 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 5048859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).