YQ8
Summary
| Name: | 4-(4-chlorophenyl)-7,8-dimethoxy-5-methyl-4H-pyrido[2,3,4-de]quinazoline |
| Formula: | C19 H16 Cl N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 353.802 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-chlorophenyl)-7,8-dimethoxy-5-methyl-4H-pyrido[2,3,4-de]quinazoline |
| OpenEye OEToolkits | 2.0.7 | 6-(4-chlorophenyl)-10,11-dimethoxy-7-methyl-2,4,6-triazatricyclo[7.3.1.0^{5,13}]trideca-1(12),2,4,7,9(13),10-hexaene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)N1C(C)=Cc2c(OC)c(cc3ncnc1c32)OC |
| InChI | InChI | 1.06 | InChI=1S/C19H16ClN3O2/c1-11-8-14-17-15(9-16(24-2)18(14)25-3)21-10-22-19(17)23(11)13-6-4-12(20)5-7-13/h4-10H,1-3H3 |
| InChIKey | InChI | 1.06 | JOBFAFOYRWCTPD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2ncnc3N(C(=Cc(c1OC)c23)C)c4ccc(Cl)cc4 |
| SMILES | CACTVS | 3.385 | COc1cc2ncnc3N(C(=Cc(c1OC)c23)C)c4ccc(Cl)cc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=Cc2c3c(cc(c2OC)OC)ncnc3N1c4ccc(cc4)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=Cc2c3c(cc(c2OC)OC)ncnc3N1c4ccc(cc4)Cl |
