1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine

C219H222Cl2F2N52O4 — CID 158662432

About 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine

1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine (PubChem CID 158662432) has the molecular formula C219H222Cl2F2N52O4 and a molecular weight of 3755.45 g/mol. Its IUPAC name is 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine.

Molecular Properties

• Compound Name: 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine
• PubChem CID: 158662432
• Molecular Formula: C219H222Cl2F2N52O4
• Molecular Weight: 3755.45 g/mol
• Exact Mass: 3751.81
• IUPAC Name: 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine
• SMILES: Cc1cc2c(N)cccc2cc1C(N)=O.Cc1cc2c(N)cccc2cc1Cl.Cc1cc2c(N)cccc2cc1F.Cc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2c(N)nccc2cc1CN.Cc1cc2c(N)nccc2cc1Cl.Cc1cc2c(N)nccc2cc1F.Cc1ccc2c(N)cncc2c1.Cc1ccc2c(N)nc(N)cc2c1.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2cc(N)nc(N)c2c1.Cc1ccc2ccc(N)nc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cncc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2nc(N)ccc2c1.Cc1ccc2ncnc(N)c2c1
• InChI: InChI=1S/C12H12N2O.C11H10ClN.C11H10FN.C11H11N3O.C11H13N3.C10H9ClN2.C10H9FN2.2C10H11N3.6C10H10N2.C9H10N4.4C9H9N3.2C9H10N2O/c1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(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;2*1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-6-2-3-8-7(4-6)5-9(11)13-10(8)12;1-6-2-3-7-5-9(11)13-10(12)8(7)4-6;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-9-8(4-7)5-12-6-10(9)11;1-7-2-3-8-5-12-6-10(11)9(8)4-7;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;1-7-2-3-8-4-5-10(11)12-9(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/h2-6H,13H2,1H3,(H2,14,15);2*2-6H,13H2,1H3;2-5H,1H3,(H2,12,14)(H2,13,15);2-5H,6,12H2,1H3,(H2,13,14);2*2-5H,1H3,(H2,12,13);2*2-5H,1H3,(H4,11,12,13);2-6H,1H3,(H2,11,12);2*2-6H,11H2,1H3;3*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)
• InChIKey: ICXOUGFLVJUDCS-UHFFFAOYSA-N
• XLogP: 41.58
• TPSA: 1089.46 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 54
• Rotatable Bonds: 3
• Heavy Atoms: 279
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3755.45
LogP ≤ 5	41.58
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	54

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-carboxamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine?

The IUPAC name of 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine (CID 158662432) is 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine.

What is the SMILES notation for 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine?

The canonical SMILES for 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine is Cc1cc2c(N)cccc2cc1C(N)=O.Cc1cc2c(N)cccc2cc1Cl.Cc1cc2c(N)cccc2cc1F.Cc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2c(N)nccc2cc1CN.Cc1cc2c(N)nccc2cc1Cl.Cc1cc2c(N)nccc2cc1F.Cc1ccc2c(N)cncc2c1.Cc1ccc2c(N)nc(N)cc2c1.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2cc(N)nc(N)c2c1.Cc1ccc2ccc(N)nc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cncc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2nc(N)ccc2c1.Cc1ccc2ncnc(N)c2c1.

What is the InChIKey of 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine?

The InChIKey is ICXOUGFLVJUDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.C11H10ClN.C11H10FN.C11H11N3O.C11H13N3.C10H9ClN2.C10H9FN2.2C10H11N3.6C10H10N2.C9H10N4.4C9H9N3.2C9H10N2O/c1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(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;2*1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-6-2-3-8-7(4-6)5-9(11)13-10(8)12;1-6-2-3-7-5-9(11)13-10(12)8(7)4-6;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-9-8(4-7)5-12-6-10(9)11;1-7-2-3-8-5-12-6-10(11)9(8)4-7;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;1-7-2-3-8-4-5-10(11)12-9(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/h2-6H,13H2,1H3,(H2,14,15);2*2-6H,13H2,1H3;2-5H,1H3,(H2,12,14)(H2,13,15);2-5H,6,12H2,1H3,(H2,13,14);2*2-5H,1H3,(H2,12,13);2*2-5H,1H3,(H4,11,12,13);2-6H,1H3,(H2,11,12);2*2-6H,11H2,1H3;3*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).

What are the key properties of 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine?

1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine has a molecular weight of 3755.45 g/mol, XLogP of 41.58, 3 rotatable bonds, 28 hydrogen bond donors, and 54 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-carboxamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine is sourced from PubChem (CID 158662432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).