2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-8-methyl-2,3-dihydro-1H-quinazolin-4-one

C21H22N4O — CID 85492832

IUPAC2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-8-methyl-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1cccc2c1NC(c1c(C)nn(Cc3ccccc3)c1C)NC2=O
InChIInChI=1S/C21H22N4O/c1-13-8-7-11-17-19(13)22-20(23-21(17)26)18-14(2)24-25(15(18)3)12-16-9-5-4-6-10-16/h4-11,20,22H,12H2,1-3H3,(H,23,26)
InChIKeyOZDXBFSXBFQXOD-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.71
Rot. Bonds3

About 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-8-methyl-2,3-dihydro-1H-quinazolin-4-one

2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-8-methyl-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 85492832) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-8-methyl-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-8-methyl-2,3-dihydro-1H-quinazolin-4-one
PubChem CID85492832
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-8-methyl-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1cccc2c1NC(c1c(C)nn(Cc3ccccc3)c1C)NC2=O
InChIInChI=1S/C21H22N4O/c1-13-8-7-11-17-19(13)22-20(23-21(17)26)18-14(2)24-25(15(18)3)12-16-9-5-4-6-10-16/h4-11,20,22H,12H2,1-3H3,(H,23,26)
InChIKeyOZDXBFSXBFQXOD-UHFFFAOYSA-N
XLogP3.71
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-8-methyl-2,3-dihydro-1H-quinazolin-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

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-8-methyl-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-8-methyl-2,3-dihydro-1H-quinazolin-4-one (CID 85492832) is 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-8-methyl-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-8-methyl-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-8-methyl-2,3-dihydro-1H-quinazolin-4-one is Cc1cccc2c1NC(c1c(C)nn(Cc3ccccc3)c1C)NC2=O.
What is the InChIKey of 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-8-methyl-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is OZDXBFSXBFQXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-13-8-7-11-17-19(13)22-20(23-21(17)26)18-14(2)24-25(15(18)3)12-16-9-5-4-6-10-16/h4-11,20,22H,12H2,1-3H3,(H,23,26).
What are the key properties of 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-8-methyl-2,3-dihydro-1H-quinazolin-4-one?
2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-8-methyl-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 346.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-8-methyl-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 85492832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).