6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine

C92H94FN27O3 — CID 159108138

About 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine

6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine (PubChem CID 159108138) has the molecular formula C92H94FN27O3 and a molecular weight of 1644.95 g/mol. Its IUPAC name is 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine.

Molecular Properties

• Compound Name: 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
• PubChem CID: 159108138
• Molecular Formula: C92H94FN27O3
• Molecular Weight: 1644.95 g/mol
• Exact Mass: 1643.80
• IUPAC Name: 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
• SMILES: Cc1cc2c(N)nccc2cc1F.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2cnnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1
• InChI: InChI=1S/C10H9FN2.C10H10N2.C9H10N4.C9H9N3O.4C9H9N3.2C9H10N2O/c1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-7-2-3-9-8(6-7)4-5-12-10(9)11;1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-7-8(4-6)11-5-12-9(7)10;2*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/h2-5H,1H3,(H2,12,13);2-6H,1H3,(H2,11,12);2-4H,1H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H2,10,11,12,13);2*2-5H,1H3,(H2,10,11,12);2*2-5H,1H3,(H2,10,12);2*2-4H,5H2,1H3,(H2,10,11)
• InChIKey: KEDMEKNLPNQXGT-UHFFFAOYSA-N
• XLogP: 14.94
• TPSA: 519.60 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 1
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1644.95
LogP ≤ 5	14.94
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine?

The IUPAC name of 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine (CID 159108138) is 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine.

What is the SMILES notation for 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine?

The canonical SMILES for 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine is Cc1cc2c(N)nccc2cc1F.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2cnnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.

What is the InChIKey of 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine?

The InChIKey is KEDMEKNLPNQXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2.C10H10N2.C9H10N4.C9H9N3O.4C9H9N3.2C9H10N2O/c1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-7-2-3-9-8(6-7)4-5-12-10(9)11;1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-7-8(4-6)11-5-12-9(7)10;2*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/h2-5H,1H3,(H2,12,13);2-6H,1H3,(H2,11,12);2-4H,1H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H2,10,11,12,13);2*2-5H,1H3,(H2,10,11,12);2*2-5H,1H3,(H2,10,12);2*2-4H,5H2,1H3,(H2,10,11).

What are the key properties of 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine?

6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine has a molecular weight of 1644.95 g/mol, XLogP of 14.94, 1 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-methylisoquinolin-1-amine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(7-methylphthalazin-1-amine);6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine is sourced from PubChem (CID 159108138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).