A1ADG
Summary
Name: | 2-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one |
Formula: | C16 H14 N2 O |
Formal charge: | 0 |
Formula weight: | 250.295 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (3P)-2-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one |
OpenEye OEToolkits | 2.0.7 | 2-methyl-3-(2-methylphenyl)quinazolin-4-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1ccccc1N1C(C)=Nc2ccccc2C1=O |
InChI | InChI | 1.06 | InChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3 |
InChIKey | InChI | 1.06 | JEYCTXHKTXCGPB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1N2C(=Nc3ccccc3C2=O)C |
SMILES | CACTVS | 3.385 | Cc1ccccc1N2C(=Nc3ccccc3C2=O)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1N2C(=Nc3ccccc3C2=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1N2C(=Nc3ccccc3C2=O)C |