1-(4,8-dimethylquinazolin-2-yl)ethanone

C12H12N2O — CID 84775834

IUPAC1-(4,8-dimethylquinazolin-2-yl)ethanone
SMILESCC(=O)c1nc(C)c2cccc(C)c2n1
InChIInChI=1S/C12H12N2O/c1-7-5-4-6-10-8(2)13-12(9(3)15)14-11(7)10/h4-6H,1-3H3
InChIKeyVHNZKFZMWZVTPB-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.45
Rot. Bonds1

About 1-(4,8-dimethylquinazolin-2-yl)ethanone

1-(4,8-dimethylquinazolin-2-yl)ethanone (PubChem CID 84775834) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(4,8-dimethylquinazolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4,8-dimethylquinazolin-2-yl)ethanone
PubChem CID84775834
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-(4,8-dimethylquinazolin-2-yl)ethanone
SMILESCC(=O)c1nc(C)c2cccc(C)c2n1
InChIInChI=1S/C12H12N2O/c1-7-5-4-6-10-8(2)13-12(9(3)15)14-11(7)10/h4-6H,1-3H3
InChIKeyVHNZKFZMWZVTPB-UHFFFAOYSA-N
XLogP2.45
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4,8-dimethylquinazolin-2-yl)ethanone 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

methane;2,4,8-trimethylquinazoline
CID 159057761
4,5-dimethylacridine-9-carboxylate
CID 7095758
1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone
CID 82447892
2-(2,8-dimethylquinolin-4-yl)acetic acid
CID 82447836
1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone
CID 70719076
2-(2,8-dimethylquinazolin-4-yl)acetic acid
CID 105469517
8-methylquinazoline-4-carboxylic acid
CID 124706584
1-(5-methylnaphthalen-1-yl)ethanone
CID 15563480
4-chloro-8-methylquinazolin-2-amine
CID 10035504
4-methylquinazoline-2-carboxylic acid
CID 84770673
4-chloro-8-methylquinoline-2,3-dicarboxylic acid
CID 141332367
2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 4821234

Frequently Asked Questions

What is the IUPAC name of 1-(4,8-dimethylquinazolin-2-yl)ethanone?
The IUPAC name of 1-(4,8-dimethylquinazolin-2-yl)ethanone (CID 84775834) is 1-(4,8-dimethylquinazolin-2-yl)ethanone.
What is the SMILES notation for 1-(4,8-dimethylquinazolin-2-yl)ethanone?
The canonical SMILES for 1-(4,8-dimethylquinazolin-2-yl)ethanone is CC(=O)c1nc(C)c2cccc(C)c2n1.
What is the InChIKey of 1-(4,8-dimethylquinazolin-2-yl)ethanone?
The InChIKey is VHNZKFZMWZVTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-7-5-4-6-10-8(2)13-12(9(3)15)14-11(7)10/h4-6H,1-3H3.
What are the key properties of 1-(4,8-dimethylquinazolin-2-yl)ethanone?
1-(4,8-dimethylquinazolin-2-yl)ethanone has a molecular weight of 200.24 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,8-dimethylquinazolin-2-yl)ethanone is sourced from PubChem (CID 84775834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).