1-amino-7-methylisoquinoline-6-carboxamide;7-(aminomethyl)-6-methyl-1H-2,3-benzoxazin-4-amine;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

C161H169ClFN35O5 — CID 158277353

About 1-amino-7-methylisoquinoline-6-carboxamide;7-(aminomethyl)-6-methyl-1H-2,3-benzoxazin-4-amine;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

1-amino-7-methylisoquinoline-6-carboxamide;7-(aminomethyl)-6-methyl-1H-2,3-benzoxazin-4-amine;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 158277353) has the molecular formula C161H169ClFN35O5 and a molecular weight of 2728.81 g/mol. Its IUPAC name is 1-amino-7-methylisoquinoline-6-carboxamide;7-(aminomethyl)-6-methyl-1H-2,3-benzoxazin-4-amine;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

• Compound Name: 1-amino-7-methylisoquinoline-6-carboxamide;7-(aminomethyl)-6-methyl-1H-2,3-benzoxazin-4-amine;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
• PubChem CID: 158277353
• Molecular Formula: C161H169ClFN35O5
• Molecular Weight: 2728.81 g/mol
• Exact Mass: 2726.37
• IUPAC Name: 1-amino-7-methylisoquinoline-6-carboxamide;7-(aminomethyl)-6-methyl-1H-2,3-benzoxazin-4-amine;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
• SMILES: Cc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2c(N)nccc2cc1CN.Cc1cc2c(N)nccc2cc1Cl.Cc1cc2c(N)nccc2cc1F.Cc1cc2c(cc1CN)CON=C2N.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2c(c1)NCC2.Cc1ccc2c(n1)NCCC2.Cc1ccc2cccnc2c1.Cc1ccc2cccnc2n1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1ccc2onc(N)c2c1
• InChI: InChI=1S/C11H11N3O.C11H13N3.C10H9ClN2.C10H9FN2.C10H13N3O.C10H10N2.C10H9N.2C9H9N3.C9H10N2O.C9H10N2.C9H12N2.C9H8N2.C9H9NO.C9H9N.C9H11N.C8H8N2O/c1-6-4-9-7(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;1-6-2-9-8(3-7(6)4-11)5-14-13-10(9)12;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-8-4-5-9-3-2-6-11-10(9)7-8;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;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;2*1-7-4-5-8-3-2-6-10-9(8)11-7;1-6-2-3-7-5-10-9(11)8(7)4-6;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-3-7-6(4-5)8(9)10-11-7/h2-5H,1H3,(H2,12,14)(H2,13,15);2-5H,6,12H2,1H3,(H2,13,14);2*2-5H,1H3,(H2,12,13);2-3H,4-5,11H2,1H3,(H2,12,13);2-6H,1H3,(H2,11,12);2-7H,1H3;2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);2-4H,5H2,1H3,(H2,10,11);2-4H,5H2,1H3,(H2,10,11);4-5H,2-3,6H2,1H3,(H,10,11);2-6H,1H3;2-4H,5H2,1H3,(H,10,11);2-6,10H,1H3;2-3,6,10H,4-5H2,1H3;2-4H,1H3,(H2,9,10)
• InChIKey: GJTSKRCSSHCHDV-UHFFFAOYSA-N
• XLogP: 29.61
• TPSA: 699.44 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 37
• Rotatable Bonds: 3
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2728.81
LogP ≤ 5	29.61
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 1-amino-7-methylisoquinoline-6-carboxamide;7-(aminomethyl)-6-methyl-1H-2,3-benzoxazin-4-amine;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?

The IUPAC name of 1-amino-7-methylisoquinoline-6-carboxamide;7-(aminomethyl)-6-methyl-1H-2,3-benzoxazin-4-amine;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 158277353) is 1-amino-7-methylisoquinoline-6-carboxamide;7-(aminomethyl)-6-methyl-1H-2,3-benzoxazin-4-amine;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.

What is the SMILES notation for 1-amino-7-methylisoquinoline-6-carboxamide;7-(aminomethyl)-6-methyl-1H-2,3-benzoxazin-4-amine;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?

The canonical SMILES for 1-amino-7-methylisoquinoline-6-carboxamide;7-(aminomethyl)-6-methyl-1H-2,3-benzoxazin-4-amine;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is Cc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2c(N)nccc2cc1CN.Cc1cc2c(N)nccc2cc1Cl.Cc1cc2c(N)nccc2cc1F.Cc1cc2c(cc1CN)CON=C2N.Cc1ccc2[nH]ccc2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2c(c1)NCC2.Cc1ccc2c(n1)NCCC2.Cc1ccc2cccnc2c1.Cc1ccc2cccnc2n1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1ccc2onc(N)c2c1.

What is the InChIKey of 1-amino-7-methylisoquinoline-6-carboxamide;7-(aminomethyl)-6-methyl-1H-2,3-benzoxazin-4-amine;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?

The InChIKey is GJTSKRCSSHCHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O.C11H13N3.C10H9ClN2.C10H9FN2.C10H13N3O.C10H10N2.C10H9N.2C9H9N3.C9H10N2O.C9H10N2.C9H12N2.C9H8N2.C9H9NO.C9H9N.C9H11N.C8H8N2O/c1-6-4-9-7(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;1-6-2-9-8(3-7(6)4-11)5-14-13-10(9)12;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-8-4-5-9-3-2-6-11-10(9)7-8;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;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;2*1-7-4-5-8-3-2-6-10-9(8)11-7;1-6-2-3-7-5-10-9(11)8(7)4-6;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-3-7-6(4-5)8(9)10-11-7/h2-5H,1H3,(H2,12,14)(H2,13,15);2-5H,6,12H2,1H3,(H2,13,14);2*2-5H,1H3,(H2,12,13);2-3H,4-5,11H2,1H3,(H2,12,13);2-6H,1H3,(H2,11,12);2-7H,1H3;2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);2-4H,5H2,1H3,(H2,10,11);2-4H,5H2,1H3,(H2,10,11);4-5H,2-3,6H2,1H3,(H,10,11);2-6H,1H3;2-4H,5H2,1H3,(H,10,11);2-6,10H,1H3;2-3,6,10H,4-5H2,1H3;2-4H,1H3,(H2,9,10).

What are the key properties of 1-amino-7-methylisoquinoline-6-carboxamide;7-(aminomethyl)-6-methyl-1H-2,3-benzoxazin-4-amine;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?

1-amino-7-methylisoquinoline-6-carboxamide;7-(aminomethyl)-6-methyl-1H-2,3-benzoxazin-4-amine;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 2728.81 g/mol, XLogP of 29.61, 3 rotatable bonds, 18 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-7-methylisoquinoline-6-carboxamide;7-(aminomethyl)-6-methyl-1H-2,3-benzoxazin-4-amine;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 158277353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).