3-benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one

C22H20N2O2 — CID 2887831

IUPAC3-benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C22H20N2O2/c1-26-18-13-11-17(12-14-18)21-23-20-10-6-5-9-19(20)22(25)24(21)15-16-7-3-2-4-8-16/h2-14,21,23H,15H2,1H3
InChIKeyREVGNIDTOSRNDP-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.46
Rot. Bonds4

About 3-benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one

3-benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 2887831) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID2887831
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name3-benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C22H20N2O2/c1-26-18-13-11-17(12-14-18)21-23-20-10-6-5-9-19(20)22(25)24(21)15-16-7-3-2-4-8-16/h2-14,21,23H,15H2,1H3
InChIKeyREVGNIDTOSRNDP-UHFFFAOYSA-N
XLogP4.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one 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

Encainide
CID 48041
N-(3-(4-((4-(3,4-Dihydro-2-oxo-1(2H)-quinolinyl)-1-piperidinyl)carbonyl)phenoxy)propyl)acetamide
CID 114904
Encainide Hydrochloride
CID 48040
1,2-Dihydro-2-(4-methoxyphenyl)-4(3H)-quinazolinone
CID 484118
3-[(2-Methoxyphenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one
CID 866360
2-(3-(Benzyloxy)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 300572
2-(2-ethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 292560
1,2-Dihydro-2-(3,4-(methylenedioxy)-phenyl)-4(3H)-quinazolinone
CID 650393
3,4-dihydro-1(2H)-quinolinyl(4-methoxyphenyl)methanone
CID 710667
4-Methoxy-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 21428971
N-[3-(3-methoxyphenyl)-1-methyl-4-oxo-1,4-dihydroquinolin-2-yl]butanamide
CID 4906475
3-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-2,4(1H,3H)-quinazolinedione
CID 122065

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 2887831) is 3-benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 3-benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is REVGNIDTOSRNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-26-18-13-11-17(12-14-18)21-23-20-10-6-5-9-19(20)22(25)24(21)15-16-7-3-2-4-8-16/h2-14,21,23H,15H2,1H3.
What are the key properties of 3-benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one?
3-benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 344.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2887831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).