1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;7-methylquinazolin-4-amine

C120H122Cl2F2N22O6S2 — CID 158126027

About 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;7-methylquinazolin-4-amine

1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;7-methylquinazolin-4-amine (PubChem CID 158126027) has the molecular formula C120H122Cl2F2N22O6S2 and a molecular weight of 2141.48 g/mol. Its IUPAC name is 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;7-methylquinazolin-4-amine.

Molecular Properties

• Compound Name: 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;7-methylquinazolin-4-amine
• PubChem CID: 158126027
• Molecular Formula: C120H122Cl2F2N22O6S2
• Molecular Weight: 2141.48 g/mol
• Exact Mass: 2138.87
• IUPAC Name: 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;7-methylquinazolin-4-amine
• SMILES: Cc1cc2c(N)cccc2cc1C(N)=O.Cc1cc2c(N)cccc2cc1CN.Cc1cc2c(N)cccc2cc1Cl.Cc1cc2c(N)cccc2cc1F.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.Cc1ccc2c(N)ncnc2c1
• InChI: InChI=1S/C12H12N2O.C12H14N2.C12H13NO2S.C11H10ClN.C11H10FN.C11H11N3O.C11H13N3.C11H12N2O2S.C10H9ClN2.C10H9FN2.C9H9N3/c1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15;1-8-5-11-9(6-10(8)7-13)3-2-4-12(11)14;1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;2*1-7-5-9-8(6-10(7)12)3-2-4-11(9)13;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;1-6-2-3-7-8(4-6)11-5-12-9(7)10/h2-6H,13H2,1H3,(H2,14,15);2-6H,7,13-14H2,1H3;3-7H,13H2,1-2H3;2*2-6H,13H2,1H3;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);2-5H,1H3,(H2,10,11,12)
• InChIKey: FSEKTYAKTIDFLR-UHFFFAOYSA-N
• XLogP: 23.16
• TPSA: 596.08 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 25
• Rotatable Bonds: 6
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2141.48
LogP ≤ 5	23.16
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	25

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;6-(aminomethyl)-7-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;7-methylquinazolin-4-amine?

The IUPAC name of 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;7-methylquinazolin-4-amine (CID 158126027) is 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;7-methylquinazolin-4-amine.

What is the SMILES notation for 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;7-methylquinazolin-4-amine?

The canonical SMILES for 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;7-methylquinazolin-4-amine is Cc1cc2c(N)cccc2cc1C(N)=O.Cc1cc2c(N)cccc2cc1CN.Cc1cc2c(N)cccc2cc1Cl.Cc1cc2c(N)cccc2cc1F.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.Cc1ccc2c(N)ncnc2c1.

What is the InChIKey of 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;7-methylquinazolin-4-amine?

The InChIKey is FSEKTYAKTIDFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.C12H14N2.C12H13NO2S.C11H10ClN.C11H10FN.C11H11N3O.C11H13N3.C11H12N2O2S.C10H9ClN2.C10H9FN2.C9H9N3/c1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15;1-8-5-11-9(6-10(8)7-13)3-2-4-12(11)14;1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;2*1-7-5-9-8(6-10(7)12)3-2-4-11(9)13;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;1-6-2-3-7-8(4-6)11-5-12-9(7)10/h2-6H,13H2,1H3,(H2,14,15);2-6H,7,13-14H2,1H3;3-7H,13H2,1-2H3;2*2-6H,13H2,1H3;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);2-5H,1H3,(H2,10,11,12).

What are the key properties of 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;7-methylquinazolin-4-amine?

1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;7-methylquinazolin-4-amine has a molecular weight of 2141.48 g/mol, XLogP of 23.16, 6 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;7-methylquinazolin-4-amine is sourced from PubChem (CID 158126027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).