3-benzyl-7-methyl-1H-quinazoline-2,4-dione

C16H14N2O2 — CID 117261590

IUPAC3-benzyl-7-methyl-1H-quinazoline-2,4-dione
SMILESCc1ccc2c(=O)n(Cc3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C16H14N2O2/c1-11-7-8-13-14(9-11)17-16(20)18(15(13)19)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,20)
InChIKeyNLJKKLNKWUKVFI-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.05
Rot. Bonds2

About 3-benzyl-7-methyl-1H-quinazoline-2,4-dione

3-benzyl-7-methyl-1H-quinazoline-2,4-dione (PubChem CID 117261590) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-benzyl-7-methyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-benzyl-7-methyl-1H-quinazoline-2,4-dione
PubChem CID117261590
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-benzyl-7-methyl-1H-quinazoline-2,4-dione
SMILESCc1ccc2c(=O)n(Cc3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C16H14N2O2/c1-11-7-8-13-14(9-11)17-16(20)18(15(13)19)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,20)
InChIKeyNLJKKLNKWUKVFI-UHFFFAOYSA-N
XLogP2.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-7-methyl-1H-quinazoline-2,4-dione 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

3-benzyl-6-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 20755130
5-benzyl-2,9-dimethylphenanthridin-6-one
CID 86257513
7-methyl-3-[2-(methylamino)ethyl]-1H-quinazoline-2,4-dione
CID 117262974
3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
CID 22449593
3-benzyl-6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 143665036
7-methyl-3-[2-(methylamino)propyl]-1H-quinazoline-2,4-dione
CID 117262976
3-benzyl-6-methyl-2-sulfanylidene-1H-quinazolin-4-one;sulfur dioxide
CID 90764004
3-benzyl-7-bromo-2-sulfanylidene-1H-quinazolin-4-one
CID 177325632
2,4-dioxo-3-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-quinazoline-7-carboxylic acid
CID 56771826
2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 633879
methyl 3-[(4-methylsulfanylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 166180675
7-(4-benzylpiperazine-1-carbonyl)-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 3240438

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-methyl-1H-quinazoline-2,4-dione?
The IUPAC name of 3-benzyl-7-methyl-1H-quinazoline-2,4-dione (CID 117261590) is 3-benzyl-7-methyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-benzyl-7-methyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-benzyl-7-methyl-1H-quinazoline-2,4-dione is Cc1ccc2c(=O)n(Cc3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of 3-benzyl-7-methyl-1H-quinazoline-2,4-dione?
The InChIKey is NLJKKLNKWUKVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-7-8-13-14(9-11)17-16(20)18(15(13)19)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,20).
What are the key properties of 3-benzyl-7-methyl-1H-quinazoline-2,4-dione?
3-benzyl-7-methyl-1H-quinazoline-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-methyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).