AC1MXGKB
6-amino-8-(4-methoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: ChemDiv1_021804|Oprea1_283689|HMS648P02|6-AMINO-8(4-MEO-PH)2-ME-2,3,8,8A-TETRAHYDRO-5,7,7(1H)ISOQUINOLINETRICARBONITRILE|6-amino-8-(4-methoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile|6-AMINO-8-(4-METHOXYPHENYL)-2-METHYL-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-5,7,7-TRICARBONITRILE|6-amino-8-(4-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-1h-isoquinoline-5,7,7-tricarbonitrile|6-amino-8-(4-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
| Molecular Formula | C20H19N5O |
|---|---|
| Molecular Weight | 345.15897 g/mol |
| LogP | 2.05034 |
| Topological Polar Surface Area | 109.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.15897 |
| Monoisotopic Mass | 345.15897 |
| Heavy Atoms | 26 |
| Complexity | 893.49554 |
Chemical Identifiers
| CAS Number | 83049-49-4 |
|---|---|
| SMILES | CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)OC |
Product Overview
AC1MXGKB (CAS 83049-49-4), with molecular formula C20H19N5O and molecular weight 345.15897 g/mol. IUPAC: 6-amino-8-(4-methoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.