1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;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;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

C176H186Cl3FN38O12S5 — CID 157396864

About 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;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;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;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;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;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 157396864) has the molecular formula C176H186Cl3FN38O12S5 and a molecular weight of 3311.37 g/mol. Its IUPAC name is 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;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;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;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;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;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: 157396864
• Molecular Formula: C176H186Cl3FN38O12S5
• Molecular Weight: 3311.37 g/mol
• Exact Mass: 3307.28
• IUPAC Name: 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;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;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: COc1ccc(C)c(S(C)(=O)=O)c1.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.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.Cc1ccccc1S(C)(=O)=O
• InChI: InChI=1S/C12H13NO2S.C11H11N3O.C11H13N3.C11H12N2O2S.C10H9ClN2.C10H9FN2.2C10H10N2.C9H10N4.4C9H9N3.2C9H10N2O.C9H12O3S.C8H10O2S.C6H6ClN.C5H5ClS/c1-8-6-10-9(4-3-5-11(10)13)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(3-2-4-10(9)12)6-11(7)16(13,14)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;1-6-2-3-8-7(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;1-7-5-3-4-6-8(7)11(2,9)10;1-5-2-3-6(7)4-8-5;1-4-2-3-5(6)7-4/h3-7H,13H2,1-2H3;2-5H,1H3,(H2,12,14)(H2,13,15);2-5H,6,12H2,1H3,(H2,13,14);2-6H,12H2,1H3,(H2,13,14,15);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);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;3-6H,1-2H3;2-4H,1H3;2-3H,1H3
• InChIKey: BMRDUPKUWLORPK-UHFFFAOYSA-N
• XLogP: 32.65
• TPSA: 919.55 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 49
• Rotatable Bonds: 7
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3311.37
LogP ≤ 5	32.65
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	49

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;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;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;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;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;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;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 157396864) is 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;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;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;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;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;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;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;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;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 COc1ccc(C)c(S(C)(=O)=O)c1.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.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.Cc1ccccc1S(C)(=O)=O.

What is the InChIKey of 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;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;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 BMRDUPKUWLORPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S.C11H11N3O.C11H13N3.C11H12N2O2S.C10H9ClN2.C10H9FN2.2C10H10N2.C9H10N4.4C9H9N3.2C9H10N2O.C9H12O3S.C8H10O2S.C6H6ClN.C5H5ClS/c1-8-6-10-9(4-3-5-11(10)13)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(3-2-4-10(9)12)6-11(7)16(13,14)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;1-6-2-3-8-7(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;1-7-5-3-4-6-8(7)11(2,9)10;1-5-2-3-6(7)4-8-5;1-4-2-3-5(6)7-4/h3-7H,13H2,1-2H3;2-5H,1H3,(H2,12,14)(H2,13,15);2-5H,6,12H2,1H3,(H2,13,14);2-6H,12H2,1H3,(H2,13,14,15);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);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;3-6H,1-2H3;2-4H,1H3;2-3H,1H3.

What are the key properties of 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;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;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;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;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;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 3311.37 g/mol, XLogP of 32.65, 7 rotatable bonds, 19 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;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;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 157396864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).