1-amino-7-methylisoquinoline-6-carboxamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine

C159H168Cl3FN36O12S4 — CID 157459623

About 1-amino-7-methylisoquinoline-6-carboxamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;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;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine (PubChem CID 157459623) has the molecular formula C159H168Cl3FN36O12S4 and a molecular weight of 3028.96 g/mol. Its IUPAC name is 1-amino-7-methylisoquinoline-6-carboxamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;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;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
• PubChem CID: 157459623
• Molecular Formula: C159H168Cl3FN36O12S4
• Molecular Weight: 3028.96 g/mol
• Exact Mass: 3025.16
• IUPAC Name: 1-amino-7-methylisoquinoline-6-carboxamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
• SMILES: COc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.Cc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2c(N)nccc2cc1Cl.Cc1cc2c(N)nccc2cc1F.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1ccccc1S(C)(=O)=O
• InChI: InChI=1S/C11H11N3O.C10H9ClN2.C10H9FN2.2C10H10N2.C9H10N4.C9H9N3O.4C9H9N3.2C9H10N2O.C9H12O3S.C8H11NO3S.C8H10O2S.C6H6ClN.C5H5ClS/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;1-7-2-3-9-8(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;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;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;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-7-5-3-4-6-8(7)11(2,9)10;1-5-2-3-6(7)4-8-5;1-4-2-3-5(6)7-4/h2-5H,1H3,(H2,12,14)(H2,13,15);2*2-5H,1H3,(H2,12,13);2*2-6H,1H3,(H2,11,12);2-4H,1H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H2,10,11,12,13);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);4-6H,1-3H3;3-5H,1-2H3,(H2,9,10,11);3-6H,1-2H3;2-4H,1H3;2-3H,1H3
• InChIKey: BTTOMPFKIXVWHY-UHFFFAOYSA-N
• XLogP: 29.28
• TPSA: 839.21 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 45
• Rotatable Bonds: 7
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3028.96
LogP ≤ 5	29.28
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 1-amino-7-methylisoquinoline-6-carboxamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;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;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine (CID 157459623) is 1-amino-7-methylisoquinoline-6-carboxamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;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;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;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;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine is COc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.Cc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2c(N)nccc2cc1Cl.Cc1cc2c(N)nccc2cc1F.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1ccccc1S(C)(=O)=O.

What is the InChIKey of 1-amino-7-methylisoquinoline-6-carboxamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine?

The InChIKey is BTTOMPFKIXVWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O.C10H9ClN2.C10H9FN2.2C10H10N2.C9H10N4.C9H9N3O.4C9H9N3.2C9H10N2O.C9H12O3S.C8H11NO3S.C8H10O2S.C6H6ClN.C5H5ClS/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;1-7-2-3-9-8(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;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;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;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-7-5-3-4-6-8(7)11(2,9)10;1-5-2-3-6(7)4-8-5;1-4-2-3-5(6)7-4/h2-5H,1H3,(H2,12,14)(H2,13,15);2*2-5H,1H3,(H2,12,13);2*2-6H,1H3,(H2,11,12);2-4H,1H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H2,10,11,12,13);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);4-6H,1-3H3;3-5H,1-2H3,(H2,9,10,11);3-6H,1-2H3;2-4H,1H3;2-3H,1H3.

What are the key properties of 1-amino-7-methylisoquinoline-6-carboxamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;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;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;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 3028.96 g/mol, XLogP of 29.28, 7 rotatable bonds, 17 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-7-methylisoquinoline-6-carboxamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;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 157459623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).