4-[[6-(2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide

C20H21N3O3 — CID 174523482

IUPAC4-[[6-(2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide
SMILESCC(C)COc1ccc2ncn(Cc3ccc(C(N)=O)cc3)c(=O)c2c1
InChIInChI=1S/C20H21N3O3/c1-13(2)11-26-16-7-8-18-17(9-16)20(25)23(12-22-18)10-14-3-5-15(6-4-14)19(21)24/h3-9,12-13H,10-11H2,1-2H3,(H2,21,24)
InChIKeyBFNZAXUBBOFKGK-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.58
Rot. Bonds6

About 4-[[6-(2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide

4-[[6-(2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide (PubChem CID 174523482) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[[6-(2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[6-(2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide
PubChem CID174523482
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-[[6-(2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide
SMILESCC(C)COc1ccc2ncn(Cc3ccc(C(N)=O)cc3)c(=O)c2c1
InChIInChI=1S/C20H21N3O3/c1-13(2)11-26-16-7-8-18-17(9-16)20(25)23(12-22-18)10-14-3-5-15(6-4-14)19(21)24/h3-9,12-13H,10-11H2,1-2H3,(H2,21,24)
InChIKeyBFNZAXUBBOFKGK-UHFFFAOYSA-N
XLogP2.58
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[6-(2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide 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

4-[[6-[2-(4-methoxyphenyl)acetyl]oxy-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 11988626
6-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one
CID 166385917
4-[[6-[[2-(4-methoxyphenyl)acetyl]amino]-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 10003513
4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate
CID 7749360
2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide
CID 25158966
6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
CID 3414977
3-[(4-aminophenyl)methyl]-6-bromoquinazolin-4-one
CID 62055159
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436
ethyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]benzoate
CID 24562574
4-[(6-iodo-4-oxopyrido[3,4-d]pyrimidin-3-yl)methyl]benzoic acid
CID 22482181
ethane;4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 142804202
6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 800705

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide?
The IUPAC name of 4-[[6-(2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide (CID 174523482) is 4-[[6-(2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-[[6-(2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide?
The canonical SMILES for 4-[[6-(2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide is CC(C)COc1ccc2ncn(Cc3ccc(C(N)=O)cc3)c(=O)c2c1.
What is the InChIKey of 4-[[6-(2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide?
The InChIKey is BFNZAXUBBOFKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(2)11-26-16-7-8-18-17(9-16)20(25)23(12-22-18)10-14-3-5-15(6-4-14)19(21)24/h3-9,12-13H,10-11H2,1-2H3,(H2,21,24).
What are the key properties of 4-[[6-(2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide?
4-[[6-(2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2-methylpropoxy)-4-oxoquinazolin-3-yl]methyl]benzamide is sourced from PubChem (CID 174523482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).