2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;6-methyl-1H-pyrrolo[3,2-c]pyridine
C196H204N32O7S2 — CID 157225461
Data last refreshed: (MolForge compound catalog, from PubChem)
About 2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;6-methyl-1H-pyrrolo[3,2-c]pyridine
2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;6-methyl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 157225461) has the molecular formula C196H204N32O7S2 and a molecular weight of 3184.14 g/mol. Its IUPAC name is 2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;6-methyl-1H-pyrrolo[3,2-c]pyridine.
Molecular Properties
| Compound Name | 2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;6-methyl-1H-pyrrolo[3,2-c]pyridine |
|---|---|
| PubChem CID | 157225461 |
| Molecular Formula | C196H204N32O7S2 |
| Molecular Weight | 3184.14 g/mol |
| Exact Mass | 3181.60 |
| IUPAC Name | 2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;6-methyl-1H-pyrrolo[3,2-c]pyridine |
| SMILES | COc1ccc2ccc(C)cc2c1.Cc1cc2[nH]ccc2cn1.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(N)n[nH]c2c1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(N)nsc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2c(c1)CCN2.Cc1ccc2c(c1)CN=C2N.Cc1ccc2c(c1)CNC2=O.Cc1ccc2c(c1)NCC2.Cc1ccc2cc[nH]c2c1.Cc1ccc2ccc(C(N)=O)cc2c1.Cc1ccc2ccc(CN)cc2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1 |
| InChI | InChI=1S/2C12H11NO.2C12H13N.C12H12O.2C9H10N2.2C9H9NO.C9H11N.C9H9N.C9H11N.C9H9N.2C8H9N3.2C8H8N2O.2C8H8N2S.2C8H8N2/c1-8-2-3-9-4-5-10(12(13)14)7-11(9)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-2-4-11-5-3-10(8-13)7-12(11)6-9;1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;1-6-2-3-8-7(4-6)5-11-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-6-2-3-8-7(4-6)5-10-9(8)11;1-6-2-3-7-5-10-9(11)8(7)4-6;2*1-7-2-3-9-8(6-7)4-5-10-9;2*1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-3-7-6(4-5)8(9)11-10-7;1-5-2-3-6-7(4-5)10-11-8(6)9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9;1-6-4-8-7(5-10-6)2-3-9-8;1-6-2-3-8-7(4-6)5-9-10-8/h2*2-7H,1H3,(H2,13,14);2*2-7H,8,13H2,1H3;3-8H,1-2H3;2*2-4H,5H2,1H3,(H2,10,11);2*2-4H,5H2,1H3,(H,10,11);2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;2-3,6,10H,4-5H2,1H3;2-6,10H,1H3;2*2-4H,1H3,(H3,9,10,11);4*2-4H,1H3,(H2,9,10);2-5,9H,1H3;2-5H,1H3,(H,9,10) |
| InChIKey | ATMGZKAKYUWDNE-UHFFFAOYSA-N |
| XLogP | 41.11 |
| TPSA | 686.73 Ų |
| H-Bond Donors | 22 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 237 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3184.14 |
| LogP ≤ 5 | 41.11 |
| H-Bond Donors ≤ 5 | 22 |
| H-Bond Acceptors ≤ 10 | 31 |
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