1-amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;8-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine

C201H210ClFN46O15S7 — CID 157428781

About 1-amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;8-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine

1-amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;8-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine (PubChem CID 157428781) has the molecular formula C201H210ClFN46O15S7 and a molecular weight of 3789.12 g/mol. Its IUPAC name is 1-amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;8-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine.

Molecular Properties

• Compound Name: 1-amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;8-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
• PubChem CID: 157428781
• Molecular Formula: C201H210ClFN46O15S7
• Molecular Weight: 3789.12 g/mol
• Exact Mass: 3785.48
• IUPAC Name: 1-amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;8-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
• SMILES: Cc1cc2c(N)cccc2cc1S(C)(=O)=O.Cc1cc2c(N)cccc2cc1S(N)(=O)=O.Cc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2c(N)nccc2cc1CN.Cc1cc2c(N)nccc2cc1Cl.Cc1cc2c(N)nccc2cc1F.Cc1cc2c(N)nccc2cc1S(C)(=O)=O.Cc1cc2c(N)nccc2cc1S(N)(=O)=O.Cc1cc2cccc(N)c2cc1S(C)(=O)=O.Cc1cc2cccc(N)c2cc1S(N)(=O)=O.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2cc(C)sc2n1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1
• InChI: InChI=1S/2C12H13NO2S.C11H11N3O.C11H13N3.3C11H12N2O2S.C10H9ClN2.C10H9FN2.C10H11N3O2S.2C10H10N2.C9H10N4.4C9H9N3.2C9H10N2O.C9H9NS/c1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;1-8-6-9-4-3-5-11(13)10(9)7-12(8)16(2,14)15;1-6-4-9-7(2-3-14-10(9)12)5-8(6)11(13)15;1-7-4-10-8(5-9(7)6-12)2-3-14-11(10)13;1-7-5-9-8(3-4-13-11(9)12)6-10(7)16(2,14)15;1-7-5-9-8(3-2-4-10(9)12)6-11(7)16(13,14)15;1-7-5-8-3-2-4-10(12)9(8)6-11(7)16(13,14)15;2*1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-6-4-8-7(2-3-13-10(8)11)5-9(6)16(12,14)15;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;1-5-2-3-6-7(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;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;1-6-3-4-8-5-7(2)11-9(8)10-6/h2*3-7H,13H2,1-2H3;2-5H,1H3,(H2,12,14)(H2,13,15);2-5H,6,12H2,1H3,(H2,13,14);3-6H,1-2H3,(H2,12,13);2*2-6H,12H2,1H3,(H2,13,14,15);2*2-5H,1H3,(H2,12,13);2-5H,1H3,(H2,11,13)(H2,12,14,15);2*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);2*2-4H,5H2,1H3,(H2,10,11);3-5H,1-2H3
• InChIKey: BQGYAFAIVFIALI-UHFFFAOYSA-N
• XLogP: 33.82
• TPSA: 1160.50 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 58
• Rotatable Bonds: 8
• Heavy Atoms: 271
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3789.12
LogP ≤ 5	33.82
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	58

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;8-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine?

The IUPAC name of 1-amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;8-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine (CID 157428781) is 1-amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;8-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine.

What is the SMILES notation for 1-amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;8-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine?

The canonical SMILES for 1-amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;8-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine is Cc1cc2c(N)cccc2cc1S(C)(=O)=O.Cc1cc2c(N)cccc2cc1S(N)(=O)=O.Cc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2c(N)nccc2cc1CN.Cc1cc2c(N)nccc2cc1Cl.Cc1cc2c(N)nccc2cc1F.Cc1cc2c(N)nccc2cc1S(C)(=O)=O.Cc1cc2c(N)nccc2cc1S(N)(=O)=O.Cc1cc2cccc(N)c2cc1S(C)(=O)=O.Cc1cc2cccc(N)c2cc1S(N)(=O)=O.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2cc(C)sc2n1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.

What is the InChIKey of 1-amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;8-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine?

The InChIKey is BQGYAFAIVFIALI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13NO2S.C11H11N3O.C11H13N3.3C11H12N2O2S.C10H9ClN2.C10H9FN2.C10H11N3O2S.2C10H10N2.C9H10N4.4C9H9N3.2C9H10N2O.C9H9NS/c1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;1-8-6-9-4-3-5-11(13)10(9)7-12(8)16(2,14)15;1-6-4-9-7(2-3-14-10(9)12)5-8(6)11(13)15;1-7-4-10-8(5-9(7)6-12)2-3-14-11(10)13;1-7-5-9-8(3-4-13-11(9)12)6-10(7)16(2,14)15;1-7-5-9-8(3-2-4-10(9)12)6-11(7)16(13,14)15;1-7-5-8-3-2-4-10(12)9(8)6-11(7)16(13,14)15;2*1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-6-4-8-7(2-3-13-10(8)11)5-9(6)16(12,14)15;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;1-5-2-3-6-7(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;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;1-6-3-4-8-5-7(2)11-9(8)10-6/h2*3-7H,13H2,1-2H3;2-5H,1H3,(H2,12,14)(H2,13,15);2-5H,6,12H2,1H3,(H2,13,14);3-6H,1-2H3,(H2,12,13);2*2-6H,12H2,1H3,(H2,13,14,15);2*2-5H,1H3,(H2,12,13);2-5H,1H3,(H2,11,13)(H2,12,14,15);2*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);2*2-4H,5H2,1H3,(H2,10,11);3-5H,1-2H3.

What are the key properties of 1-amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;8-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine?

1-amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;8-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine has a molecular weight of 3789.12 g/mol, XLogP of 33.82, 8 rotatable bonds, 25 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;8-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;2,6-dimethylthieno[2,3-b]pyridine;6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine is sourced from PubChem (CID 157428781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).