1-amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;bis(8-amino-3-methylnaphthalene-2-sulfonamide);1-chloro-6-fluoro-7-methylnaphthalene;1,6-dichloro-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;2-methyl-1,8-naphthyridine;7-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline

C205H209Cl3FN29O25S12 — CID 158009915

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;bis(8-amino-3-methylnaphthalene-2-sulfonamide);1-chloro-6-fluoro-7-methylnaphthalene;1,6-dichloro-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;2-methyl-1,8-naphthyridine;7-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline

1-amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;bis(8-amino-3-methylnaphthalene-2-sulfonamide);1-chloro-6-fluoro-7-methylnaphthalene;1,6-dichloro-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;2-methyl-1,8-naphthyridine;7-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline (PubChem CID 158009915) has the molecular formula C205H209Cl3FN29O25S12 and a molecular weight of 3989.27 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;bis(8-amino-3-methylnaphthalene-2-sulfonamide);1-chloro-6-fluoro-7-methylnaphthalene;1,6-dichloro-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;2-methyl-1,8-naphthyridine;7-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline.

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;bis(8-amino-3-methylnaphthalene-2-sulfonamide);1-chloro-6-fluoro-7-methylnaphthalene;1,6-dichloro-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;2-methyl-1,8-naphthyridine;7-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline
• PubChem CID: 158009915
• Molecular Formula: C205H209Cl3FN29O25S12
• Molecular Weight: 3989.27 g/mol
• Exact Mass: 3984.17
• 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;bis(8-amino-3-methylnaphthalene-2-sulfonamide);1-chloro-6-fluoro-7-methylnaphthalene;1,6-dichloro-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;2-methyl-1,8-naphthyridine;7-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline
• SMILES: Cc1cc2c(Cl)cccc2cc1Cl.Cc1cc2c(Cl)cccc2cc1F.Cc1cc2c(N)cccc2cc1S(C)(=O)=O.Cc1cc2c(N)cccc2cc1S(N)(=O)=O.Cc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2c(N)nccc2cc1CN.Cc1cc2c(N)nccc2cc1S(C)(=O)=O.Cc1cc2c(N)nccc2cc1S(N)(=O)=O.Cc1cc2cccc(N)c2cc1S(C)(=O)=O.Cc1cc2cccc(N)c2cc1S(N)(=O)=O.Cc1cc2cccc(N)c2cc1S(N)(=O)=O.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccncc2cc1S(C)(=O)=O.Cc1cc2ccncc2cc1S(N)(=O)=O.Cc1cc2cnccc2cc1S(C)(=O)=O.Cc1cc2cnccc2cc1S(N)(=O)=O.Cc1ccc2c(n1)CCCC2.Cc1ccc2cccnc2c1.Cc1ccc2cccnc2n1
• InChI: InChI=1S/2C12H13NO2S.C12H12O2S.C11H8Cl2.C11H8ClF.C11H11N3O.C11H13N3.4C11H12N2O2S.2C11H11NO2S.C10H11N3O2S.2C10H10N2O2S.C10H9N.C10H13N.C9H8N2/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;1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14;2*1-7-5-9-8(6-11(7)13)3-2-4-10(9)12;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;2*1-7-5-8-3-2-4-10(12)9(8)6-11(7)16(13,14)15;1-8-5-10-7-12-4-3-9(10)6-11(8)15(2,13)14;1-8-5-9-3-4-12-7-10(9)6-11(8)15(2,13)14;1-6-4-8-7(2-3-13-10(8)11)5-9(6)16(12,14)15;1-7-4-9-6-12-3-2-8(9)5-10(7)15(11,13)14;1-7-4-8-2-3-12-6-9(8)5-10(7)15(11,13)14;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-4-5-8-3-2-6-10-9(8)11-7/h2*3-7H,13H2,1-2H3;3-8H,1-2H3;2*2-6H,1H3;2-5H,1H3,(H2,12,14)(H2,13,15);2-5H,6,12H2,1H3,(H2,13,14);3-6H,1-2H3,(H2,12,13);3*2-6H,12H2,1H3,(H2,13,14,15);2*3-7H,1-2H3;2-5H,1H3,(H2,11,13)(H2,12,14,15);2*2-6H,1H3,(H2,11,13,14);2-7H,1H3;6-7H,2-5H2,1H3;2-6H,1H3
• InChIKey: FETGZJUZWWZCLN-UHFFFAOYSA-N
• XLogP: 37.48
• TPSA: 1023.77 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 47
• Rotatable Bonds: 14
• Heavy Atoms: 275
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3989.27
LogP ≤ 5	37.48
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	47

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;bis(8-amino-3-methylnaphthalene-2-sulfonamide);1-chloro-6-fluoro-7-methylnaphthalene;1,6-dichloro-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;2-methyl-1,8-naphthyridine;7-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline?

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;bis(8-amino-3-methylnaphthalene-2-sulfonamide);1-chloro-6-fluoro-7-methylnaphthalene;1,6-dichloro-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;2-methyl-1,8-naphthyridine;7-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline (CID 158009915) 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;bis(8-amino-3-methylnaphthalene-2-sulfonamide);1-chloro-6-fluoro-7-methylnaphthalene;1,6-dichloro-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;2-methyl-1,8-naphthyridine;7-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline.

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;bis(8-amino-3-methylnaphthalene-2-sulfonamide);1-chloro-6-fluoro-7-methylnaphthalene;1,6-dichloro-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;2-methyl-1,8-naphthyridine;7-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline?

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;bis(8-amino-3-methylnaphthalene-2-sulfonamide);1-chloro-6-fluoro-7-methylnaphthalene;1,6-dichloro-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;2-methyl-1,8-naphthyridine;7-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline is Cc1cc2c(Cl)cccc2cc1Cl.Cc1cc2c(Cl)cccc2cc1F.Cc1cc2c(N)cccc2cc1S(C)(=O)=O.Cc1cc2c(N)cccc2cc1S(N)(=O)=O.Cc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2c(N)nccc2cc1CN.Cc1cc2c(N)nccc2cc1S(C)(=O)=O.Cc1cc2c(N)nccc2cc1S(N)(=O)=O.Cc1cc2cccc(N)c2cc1S(C)(=O)=O.Cc1cc2cccc(N)c2cc1S(N)(=O)=O.Cc1cc2cccc(N)c2cc1S(N)(=O)=O.Cc1cc2ccccc2cc1S(C)(=O)=O.Cc1cc2ccncc2cc1S(C)(=O)=O.Cc1cc2ccncc2cc1S(N)(=O)=O.Cc1cc2cnccc2cc1S(C)(=O)=O.Cc1cc2cnccc2cc1S(N)(=O)=O.Cc1ccc2c(n1)CCCC2.Cc1ccc2cccnc2c1.Cc1ccc2cccnc2n1.

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;bis(8-amino-3-methylnaphthalene-2-sulfonamide);1-chloro-6-fluoro-7-methylnaphthalene;1,6-dichloro-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;2-methyl-1,8-naphthyridine;7-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline?

The InChIKey is FETGZJUZWWZCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13NO2S.C12H12O2S.C11H8Cl2.C11H8ClF.C11H11N3O.C11H13N3.4C11H12N2O2S.2C11H11NO2S.C10H11N3O2S.2C10H10N2O2S.C10H9N.C10H13N.C9H8N2/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;1-9-7-10-5-3-4-6-11(10)8-12(9)15(2,13)14;2*1-7-5-9-8(6-11(7)13)3-2-4-10(9)12;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;2*1-7-5-8-3-2-4-10(12)9(8)6-11(7)16(13,14)15;1-8-5-10-7-12-4-3-9(10)6-11(8)15(2,13)14;1-8-5-9-3-4-12-7-10(9)6-11(8)15(2,13)14;1-6-4-8-7(2-3-13-10(8)11)5-9(6)16(12,14)15;1-7-4-9-6-12-3-2-8(9)5-10(7)15(11,13)14;1-7-4-8-2-3-12-6-9(8)5-10(7)15(11,13)14;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-4-5-8-3-2-6-10-9(8)11-7/h2*3-7H,13H2,1-2H3;3-8H,1-2H3;2*2-6H,1H3;2-5H,1H3,(H2,12,14)(H2,13,15);2-5H,6,12H2,1H3,(H2,13,14);3-6H,1-2H3,(H2,12,13);3*2-6H,12H2,1H3,(H2,13,14,15);2*3-7H,1-2H3;2-5H,1H3,(H2,11,13)(H2,12,14,15);2*2-6H,1H3,(H2,11,13,14);2-7H,1H3;6-7H,2-5H2,1H3;2-6H,1H3.

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;bis(8-amino-3-methylnaphthalene-2-sulfonamide);1-chloro-6-fluoro-7-methylnaphthalene;1,6-dichloro-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;2-methyl-1,8-naphthyridine;7-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline?

1-amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;bis(8-amino-3-methylnaphthalene-2-sulfonamide);1-chloro-6-fluoro-7-methylnaphthalene;1,6-dichloro-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;2-methyl-1,8-naphthyridine;7-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 3989.27 g/mol, XLogP of 37.48, 14 rotatable bonds, 17 hydrogen bond donors, and 47 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;bis(8-amino-3-methylnaphthalene-2-sulfonamide);1-chloro-6-fluoro-7-methylnaphthalene;1,6-dichloro-7-methylnaphthalene;6-methylisoquinoline-7-sulfonamide;7-methylisoquinoline-6-sulfonamide;7-methyl-6-methylsulfonylisoquinolin-1-amine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;6-methyl-7-methylsulfonylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;2-methyl-3-methylsulfonylnaphthalene;2-methyl-1,8-naphthyridine;7-methylquinoline;2-methyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 158009915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).