4-methyl-2,3-dihydro-1,4-benzothiazine;4-methyl-2,3-dihydro-1,4-benzoxazine;5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-2H-quinoline;bis(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
C223H301N45O7S6 — CID 157053806
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-methyl-2,3-dihydro-1,4-benzothiazine;4-methyl-2,3-dihydro-1,4-benzoxazine;5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-2H-quinoline;bis(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
SMILESCN1CC=Cc2ccccc21.CN1CCCc2ccccc21.CN1CCCc2ccccc21.CN1CCOc2ccccc21.CN1CCS(=O)(=O)c2ccccc21.CN1CCSc2ccccc21.CN1CCc2[nH]ccc2C1.CN1CCc2[nH]ncc2C1.CN1CCc2cc[nH]c2C1.CN1CCc2ccccc21.CN1CCc2ccccc2C1.CN1CCc2cccnc2C1.CN1CCc2ccoc2C1.CN1CCc2ccsc2C1.CN1CCc2cn[nH]c2C1.CN1CCc2nc[nH]c2C1.CN1CCc2nc[nH]c2C1.CN1CCc2ncccc2C1.CN1CCc2ncoc2C1.CN1CCc2ncsc2C1.CN1CCc2occc2C1.CN1CCc2ocnc2C1.CN1CCc2sccc2C1.CN1CCc2scnc2C1.CN1Cc2ccccc2C1.CN1Cc2cccnc2C1.CN1Cc2cccnc2C1
InChIInChI=1S/2C10H13N.C10H11N.C10H13N.2C9H12N2.C9H11NO2S.C9H11NO.C9H11NS.2C9H11N.2C8H12N2.2C8H10N2.2C8H11NO.2C8H11NS.4C7H11N3.2C7H10N2O.2C7H10N2S/c3*1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-11-6-4-9-8(7-11)3-2-5-10-9;1-11-6-4-8-3-2-5-10-9(8)7-11;1-10-6-7-13(11,12)9-5-3-2-4-8(9)10;2*1-10-6-7-11-9-5-3-2-4-8(9)10;1-10-6-8-4-2-3-5-9(8)7-10;1-10-7-6-8-4-2-3-5-9(8)10;1-10-5-3-8-7(6-10)2-4-9-8;1-10-5-3-7-2-4-9-8(7)6-10;2*1-10-5-7-3-2-4-9-8(7)6-10;1-9-4-2-8-7(6-9)3-5-10-8;1-9-4-2-7-3-5-10-8(7)6-9;1-9-4-2-8-7(6-9)3-5-10-8;1-9-4-2-7-3-5-10-8(7)6-9;1-10-3-2-7-6(5-10)4-8-9-7;2*1-10-3-2-6-7(4-10)9-5-8-6;1-10-3-2-6-4-8-9-7(6)5-10;1-9-3-2-7-6(4-9)8-5-10-7;1-9-3-2-6-7(4-9)10-5-8-6;1-9-3-2-7-6(4-9)8-5-10-7;1-9-3-2-6-7(4-9)10-5-8-6/h2*2-3,5,7H,4,6,8H2,1H3;2-7H,8H2,1H3;2-5H,6-8H2,1H3;2*2-3,5H,4,6-7H2,1H3;2-5H,6-7H2,1H3;2*2-5H,6-7H2,1H3;2*2-5H,6-7H2,1H3;2*2,4,9H,3,5-6H2,1H3;2*2-4H,5-6H2,1H3;4*3,5H,2,4,6H2,1H3;4H,2-3,5H2,1H3,(H,8,9);2*5H,2-4H2,1H3,(H,8,9);4H,2-3,5H2,1H3,(H,8,9);4*5H,2-4H2,1H3
InChIKeyAAMYYROBWLPCOV-UHFFFAOYSA-N
MW3916.57 g/mol
LogP33.31
Rot. Bonds
About 4-methyl-2,3-dihydro-1,4-benzothiazine;4-methyl-2,3-dihydro-1,4-benzoxazine;5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-2H-quinoline;bis(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
4-methyl-2,3-dihydro-1,4-benzothiazine;4-methyl-2,3-dihydro-1,4-benzoxazine;5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-2H-quinoline;bis(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (PubChem CID 157053806) has the molecular formula C223H301N45O7S6 and a molecular weight of 3916.57 g/mol. Its IUPAC name is 4-methyl-2,3-dihydro-1,4-benzothiazine;4-methyl-2,3-dihydro-1,4-benzoxazine;5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-2H-quinoline;bis(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine.
Molecular Properties
| Compound Name | 4-methyl-2,3-dihydro-1,4-benzothiazine;4-methyl-2,3-dihydro-1,4-benzoxazine;5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-2H-quinoline;bis(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine |
|---|---|
| PubChem CID | 157053806 |
| Molecular Formula | C223H301N45O7S6 |
| Molecular Weight | 3916.57 g/mol |
| Exact Mass | 3913.29 |
| IUPAC Name | 4-methyl-2,3-dihydro-1,4-benzothiazine;4-methyl-2,3-dihydro-1,4-benzoxazine;5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-2H-quinoline;bis(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine |
| SMILES | CN1CC=Cc2ccccc21.CN1CCCc2ccccc21.CN1CCCc2ccccc21.CN1CCOc2ccccc21.CN1CCS(=O)(=O)c2ccccc21.CN1CCSc2ccccc21.CN1CCc2[nH]ccc2C1.CN1CCc2[nH]ncc2C1.CN1CCc2cc[nH]c2C1.CN1CCc2ccccc21.CN1CCc2ccccc2C1.CN1CCc2cccnc2C1.CN1CCc2ccoc2C1.CN1CCc2ccsc2C1.CN1CCc2cn[nH]c2C1.CN1CCc2nc[nH]c2C1.CN1CCc2nc[nH]c2C1.CN1CCc2ncccc2C1.CN1CCc2ncoc2C1.CN1CCc2ncsc2C1.CN1CCc2occc2C1.CN1CCc2ocnc2C1.CN1CCc2sccc2C1.CN1CCc2scnc2C1.CN1Cc2ccccc2C1.CN1Cc2cccnc2C1.CN1Cc2cccnc2C1 |
| InChI | InChI=1S/2C10H13N.C10H11N.C10H13N.2C9H12N2.C9H11NO2S.C9H11NO.C9H11NS.2C9H11N.2C8H12N2.2C8H10N2.2C8H11NO.2C8H11NS.4C7H11N3.2C7H10N2O.2C7H10N2S/c3*1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-11-6-4-9-8(7-11)3-2-5-10-9;1-11-6-4-8-3-2-5-10-9(8)7-11;1-10-6-7-13(11,12)9-5-3-2-4-8(9)10;2*1-10-6-7-11-9-5-3-2-4-8(9)10;1-10-6-8-4-2-3-5-9(8)7-10;1-10-7-6-8-4-2-3-5-9(8)10;1-10-5-3-8-7(6-10)2-4-9-8;1-10-5-3-7-2-4-9-8(7)6-10;2*1-10-5-7-3-2-4-9-8(7)6-10;1-9-4-2-8-7(6-9)3-5-10-8;1-9-4-2-7-3-5-10-8(7)6-9;1-9-4-2-8-7(6-9)3-5-10-8;1-9-4-2-7-3-5-10-8(7)6-9;1-10-3-2-7-6(5-10)4-8-9-7;2*1-10-3-2-6-7(4-10)9-5-8-6;1-10-3-2-6-4-8-9-7(6)5-10;1-9-3-2-7-6(4-9)8-5-10-7;1-9-3-2-6-7(4-9)10-5-8-6;1-9-3-2-7-6(4-9)8-5-10-7;1-9-3-2-6-7(4-9)10-5-8-6/h2*2-3,5,7H,4,6,8H2,1H3;2-7H,8H2,1H3;2-5H,6-8H2,1H3;2*2-3,5H,4,6-7H2,1H3;2-5H,6-7H2,1H3;2*2-5H,6-7H2,1H3;2*2-5H,6-7H2,1H3;2*2,4,9H,3,5-6H2,1H3;2*2-4H,5-6H2,1H3;4*3,5H,2,4,6H2,1H3;4H,2-3,5H2,1H3,(H,8,9);2*5H,2-4H2,1H3,(H,8,9);4H,2-3,5H2,1H3,(H,8,9);4*5H,2-4H2,1H3 |
| InChIKey | AAMYYROBWLPCOV-UHFFFAOYSA-N |
| XLogP | 33.31 |
| TPSA | 432.83 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 51 |
| Rotatable Bonds | |
| Heavy Atoms | 281 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3916.57 |
| LogP ≤ 5 | 33.31 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 51 |
Frequently Asked Questions
What is the IUPAC name of 4-methyl-2,3-dihydro-1,4-benzothiazine;4-methyl-2,3-dihydro-1,4-benzoxazine;5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-2H-quinoline;bis(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The IUPAC name of 4-methyl-2,3-dihydro-1,4-benzothiazine;4-methyl-2,3-dihydro-1,4-benzoxazine;5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-2H-quinoline;bis(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine (CID 157053806) is 4-methyl-2,3-dihydro-1,4-benzothiazine;4-methyl-2,3-dihydro-1,4-benzoxazine;5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-2H-quinoline;bis(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for 4-methyl-2,3-dihydro-1,4-benzothiazine;4-methyl-2,3-dihydro-1,4-benzoxazine;5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-2H-quinoline;bis(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for 4-methyl-2,3-dihydro-1,4-benzothiazine;4-methyl-2,3-dihydro-1,4-benzoxazine;5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-2H-quinoline;bis(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine is CN1CC=Cc2ccccc21.CN1CCCc2ccccc21.CN1CCCc2ccccc21.CN1CCOc2ccccc21.CN1CCS(=O)(=O)c2ccccc21.CN1CCSc2ccccc21.CN1CCc2[nH]ccc2C1.CN1CCc2[nH]ncc2C1.CN1CCc2cc[nH]c2C1.CN1CCc2ccccc21.CN1CCc2ccccc2C1.CN1CCc2cccnc2C1.CN1CCc2ccoc2C1.CN1CCc2ccsc2C1.CN1CCc2cn[nH]c2C1.CN1CCc2nc[nH]c2C1.CN1CCc2nc[nH]c2C1.CN1CCc2ncccc2C1.CN1CCc2ncoc2C1.CN1CCc2ncsc2C1.CN1CCc2occc2C1.CN1CCc2ocnc2C1.CN1CCc2sccc2C1.CN1CCc2scnc2C1.CN1Cc2ccccc2C1.CN1Cc2cccnc2C1.CN1Cc2cccnc2C1.
What is the InChIKey of 4-methyl-2,3-dihydro-1,4-benzothiazine;4-methyl-2,3-dihydro-1,4-benzoxazine;5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-2H-quinoline;bis(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
The InChIKey is AAMYYROBWLPCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13N.C10H11N.C10H13N.2C9H12N2.C9H11NO2S.C9H11NO.C9H11NS.2C9H11N.2C8H12N2.2C8H10N2.2C8H11NO.2C8H11NS.4C7H11N3.2C7H10N2O.2C7H10N2S/c3*1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11;1-11-6-4-9-8(7-11)3-2-5-10-9;1-11-6-4-8-3-2-5-10-9(8)7-11;1-10-6-7-13(11,12)9-5-3-2-4-8(9)10;2*1-10-6-7-11-9-5-3-2-4-8(9)10;1-10-6-8-4-2-3-5-9(8)7-10;1-10-7-6-8-4-2-3-5-9(8)10;1-10-5-3-8-7(6-10)2-4-9-8;1-10-5-3-7-2-4-9-8(7)6-10;2*1-10-5-7-3-2-4-9-8(7)6-10;1-9-4-2-8-7(6-9)3-5-10-8;1-9-4-2-7-3-5-10-8(7)6-9;1-9-4-2-8-7(6-9)3-5-10-8;1-9-4-2-7-3-5-10-8(7)6-9;1-10-3-2-7-6(5-10)4-8-9-7;2*1-10-3-2-6-7(4-10)9-5-8-6;1-10-3-2-6-4-8-9-7(6)5-10;1-9-3-2-7-6(4-9)8-5-10-7;1-9-3-2-6-7(4-9)10-5-8-6;1-9-3-2-7-6(4-9)8-5-10-7;1-9-3-2-6-7(4-9)10-5-8-6/h2*2-3,5,7H,4,6,8H2,1H3;2-7H,8H2,1H3;2-5H,6-8H2,1H3;2*2-3,5H,4,6-7H2,1H3;2-5H,6-7H2,1H3;2*2-5H,6-7H2,1H3;2*2-5H,6-7H2,1H3;2*2,4,9H,3,5-6H2,1H3;2*2-4H,5-6H2,1H3;4*3,5H,2,4,6H2,1H3;4H,2-3,5H2,1H3,(H,8,9);2*5H,2-4H2,1H3,(H,8,9);4H,2-3,5H2,1H3,(H,8,9);4*5H,2-4H2,1H3.
What are the key properties of 4-methyl-2,3-dihydro-1,4-benzothiazine;4-methyl-2,3-dihydro-1,4-benzoxazine;5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-2H-quinoline;bis(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine?
4-methyl-2,3-dihydro-1,4-benzothiazine;4-methyl-2,3-dihydro-1,4-benzoxazine;5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-2H-quinoline;bis(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine has a molecular weight of 3916.57 g/mol, XLogP of 33.31, 0 rotatable bonds, 6 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydro-1,4-benzothiazine;4-methyl-2,3-dihydro-1,4-benzoxazine;5-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2,3-dihydro-1λ6,4-benzothiazine 1,1-dioxide;6-methyl-7,8-dihydro-5H-1,6-naphthyridine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;bis(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine);bis(1-methyl-3,4-dihydro-2H-quinoline);5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-2H-quinoline;bis(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 157053806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157053806 — identifiers, structure, computed properties (public domain)
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