C156H157ClFN41O — CID 158179653
1-amino-7-methylisoquinoline-6-carboxamide;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine (PubChem CID 158179653) has the molecular formula C156H157ClFN41O and a molecular weight of 2676.71 g/mol. Its IUPAC name is 1-amino-7-methylisoquinoline-6-carboxamide;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine.
| Compound Name | 1-amino-7-methylisoquinoline-6-carboxamide;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine |
|---|---|
| PubChem CID | 158179653 |
| Molecular Formula | C156H157ClFN41O |
| Molecular Weight | 2676.71 g/mol |
| Exact Mass | 2674.32 |
| IUPAC Name | 1-amino-7-methylisoquinoline-6-carboxamide;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine |
| SMILES | Cc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2c(N)nccc2cc1Cl.Cc1cc2c(N)nccc2cc1F.Cc1ccc2c(N)cncc2c1.Cc1ccc2c(N)nc(N)cc2c1.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2cc(N)nc(N)c2c1.Cc1ccc2ccc(N)nc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cncc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2nc(N)ccc2c1.Cc1ccc2ncnc(N)c2c1 |
| InChI | InChI=1S/C11H11N3O.C10H9ClN2.C10H9FN2.2C10H11N3.6C10H10N2.C9H10N4.4C9H9N3/c1-6-4-9-7(2-3-14-10(9)12)5-8(6)11(13)15;2*1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-6-2-3-8-7(4-6)5-9(11)13-10(8)12;1-6-2-3-7-5-9(11)13-10(12)8(7)4-6;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-9-8(4-7)5-12-6-10(9)11;1-7-2-3-8-5-12-6-10(11)9(8)4-7;1-7-2-3-9-8(6-7)4-5-12-10(9)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-7-2-3-8-4-5-10(11)12-9(8)6-7;1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-8(4-6)11-5-12-9(7)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6/h2-5H,1H3,(H2,12,14)(H2,13,15);2*2-5H,1H3,(H2,12,13);2*2-5H,1H3,(H4,11,12,13);2-6H,1H3,(H2,11,12);2*2-6H,11H2,1H3;3*2-6H,1H3,(H2,11,12);2-4H,1H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12) |
| InChIKey | FYKRCLNTVIUTTN-UHFFFAOYSA-N |
| XLogP | 29.62 |
| TPSA | 808.16 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 200 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2676.71 |
| LogP ≤ 5 | 29.62 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 41 |