2,6-dimethyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;bis(6-methyl-1H-imidazo[4,5-g]isoquinolin-5-one);2-methyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide;2-methyl-6-(methylamino)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;2-methyl-6-(methylamino)-4-phenylisoquinolin-1-one;1-methyl-5-phenylpyridin-2-one;6-methyl-[1,3]thiazolo[4,5-g]isoquinolin-5-one

C111H115N21O11S — CID 159621640

About 2,6-dimethyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;bis(6-methyl-1H-imidazo[4,5-g]isoquinolin-5-one);2-methyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide;2-methyl-6-(methylamino)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;2-methyl-6-(methylamino)-4-phenylisoquinolin-1-one;1-methyl-5-phenylpyridin-2-one;6-methyl-[1,3]thiazolo[4,5-g]isoquinolin-5-one

2,6-dimethyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;bis(6-methyl-1H-imidazo[4,5-g]isoquinolin-5-one);2-methyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide;2-methyl-6-(methylamino)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;2-methyl-6-(methylamino)-4-phenylisoquinolin-1-one;1-methyl-5-phenylpyridin-2-one;6-methyl-[1,3]thiazolo[4,5-g]isoquinolin-5-one (PubChem CID 159621640) has the molecular formula C111H115N21O11S and a molecular weight of 1951.34 g/mol. Its IUPAC name is 2,6-dimethyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;bis(6-methyl-1H-imidazo[4,5-g]isoquinolin-5-one);2-methyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide;2-methyl-6-(methylamino)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;2-methyl-6-(methylamino)-4-phenylisoquinolin-1-one;1-methyl-5-phenylpyridin-2-one;6-methyl-[1,3]thiazolo[4,5-g]isoquinolin-5-one.

Molecular Properties

• Compound Name: 2,6-dimethyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;bis(6-methyl-1H-imidazo[4,5-g]isoquinolin-5-one);2-methyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide;2-methyl-6-(methylamino)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;2-methyl-6-(methylamino)-4-phenylisoquinolin-1-one;1-methyl-5-phenylpyridin-2-one;6-methyl-[1,3]thiazolo[4,5-g]isoquinolin-5-one
• PubChem CID: 159621640
• Molecular Formula: C111H115N21O11S
• Molecular Weight: 1951.34 g/mol
• Exact Mass: 1949.88
• IUPAC Name: 2,6-dimethyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;bis(6-methyl-1H-imidazo[4,5-g]isoquinolin-5-one);2-methyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide;2-methyl-6-(methylamino)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;2-methyl-6-(methylamino)-4-phenylisoquinolin-1-one;1-methyl-5-phenylpyridin-2-one;6-methyl-[1,3]thiazolo[4,5-g]isoquinolin-5-one
• SMILES: CN1Cc2cc3ccn(C)c(=O)c3cc2C1.CNc1ccc2c(=O)n(C)cc(-c3ccccc3)c2c1.CNc1ccc2c(=O)n(C)cc(C(=O)NCCN3CCCC3)c2c1.CNc1ccc2c(=O)n(C)cc(C(=O)NCCN3CCOCC3)c2c1.Cn1cc(-c2ccccc2)ccc1=O.Cn1ccc2cc3[nH]cnc3cc2c1=O.Cn1ccc2cc3[nH]cnc3cc2c1=O.Cn1ccc2cc3ncsc3cc2c1=O
• InChI: InChI=1S/C18H24N4O3.C18H24N4O2.C17H16N2O.C13H14N2O.C12H11NO.2C11H9N3O.C11H8N2OS/c1-19-13-3-4-14-15(11-13)16(12-21(2)18(14)24)17(23)20-5-6-22-7-9-25-10-8-22;1-19-13-5-6-14-15(11-13)16(12-21(2)18(14)24)17(23)20-7-10-22-8-3-4-9-22;1-18-13-8-9-14-15(10-13)16(11-19(2)17(14)20)12-6-4-3-5-7-12;1-14-7-10-5-9-3-4-15(2)13(16)12(9)6-11(10)8-14;1-13-9-11(7-8-12(13)14)10-5-3-2-4-6-10;2*1-14-3-2-7-4-9-10(13-6-12-9)5-8(7)11(14)15;1-13-3-2-7-4-9-10(15-6-12-9)5-8(7)11(13)14/h3-4,11-12,19H,5-10H2,1-2H3,(H,20,23);5-6,11-12,19H,3-4,7-10H2,1-2H3,(H,20,23);3-11,18H,1-2H3;3-6H,7-8H2,1-2H3;2-9H,1H3;2*2-6H,1H3,(H,12,13);2-6H,1H3
• InChIKey: MNYSMKWEMWQRGR-UHFFFAOYSA-N
• XLogP: 13.81
• TPSA: 359.49 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 13
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1951.34
LogP ≤ 5	13.81
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;bis(6-methyl-1H-imidazo[4,5-g]isoquinolin-5-one);2-methyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide;2-methyl-6-(methylamino)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;2-methyl-6-(methylamino)-4-phenylisoquinolin-1-one;1-methyl-5-phenylpyridin-2-one;6-methyl-[1,3]thiazolo[4,5-g]isoquinolin-5-one?

The IUPAC name of 2,6-dimethyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;bis(6-methyl-1H-imidazo[4,5-g]isoquinolin-5-one);2-methyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide;2-methyl-6-(methylamino)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;2-methyl-6-(methylamino)-4-phenylisoquinolin-1-one;1-methyl-5-phenylpyridin-2-one;6-methyl-[1,3]thiazolo[4,5-g]isoquinolin-5-one (CID 159621640) is 2,6-dimethyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;bis(6-methyl-1H-imidazo[4,5-g]isoquinolin-5-one);2-methyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide;2-methyl-6-(methylamino)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;2-methyl-6-(methylamino)-4-phenylisoquinolin-1-one;1-methyl-5-phenylpyridin-2-one;6-methyl-[1,3]thiazolo[4,5-g]isoquinolin-5-one.

What is the SMILES notation for 2,6-dimethyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;bis(6-methyl-1H-imidazo[4,5-g]isoquinolin-5-one);2-methyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide;2-methyl-6-(methylamino)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;2-methyl-6-(methylamino)-4-phenylisoquinolin-1-one;1-methyl-5-phenylpyridin-2-one;6-methyl-[1,3]thiazolo[4,5-g]isoquinolin-5-one?

The canonical SMILES for 2,6-dimethyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;bis(6-methyl-1H-imidazo[4,5-g]isoquinolin-5-one);2-methyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide;2-methyl-6-(methylamino)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;2-methyl-6-(methylamino)-4-phenylisoquinolin-1-one;1-methyl-5-phenylpyridin-2-one;6-methyl-[1,3]thiazolo[4,5-g]isoquinolin-5-one is CN1Cc2cc3ccn(C)c(=O)c3cc2C1.CNc1ccc2c(=O)n(C)cc(-c3ccccc3)c2c1.CNc1ccc2c(=O)n(C)cc(C(=O)NCCN3CCCC3)c2c1.CNc1ccc2c(=O)n(C)cc(C(=O)NCCN3CCOCC3)c2c1.Cn1cc(-c2ccccc2)ccc1=O.Cn1ccc2cc3[nH]cnc3cc2c1=O.Cn1ccc2cc3[nH]cnc3cc2c1=O.Cn1ccc2cc3ncsc3cc2c1=O.

What is the InChIKey of 2,6-dimethyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;bis(6-methyl-1H-imidazo[4,5-g]isoquinolin-5-one);2-methyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide;2-methyl-6-(methylamino)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;2-methyl-6-(methylamino)-4-phenylisoquinolin-1-one;1-methyl-5-phenylpyridin-2-one;6-methyl-[1,3]thiazolo[4,5-g]isoquinolin-5-one?

The InChIKey is MNYSMKWEMWQRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3.C18H24N4O2.C17H16N2O.C13H14N2O.C12H11NO.2C11H9N3O.C11H8N2OS/c1-19-13-3-4-14-15(11-13)16(12-21(2)18(14)24)17(23)20-5-6-22-7-9-25-10-8-22;1-19-13-5-6-14-15(11-13)16(12-21(2)18(14)24)17(23)20-7-10-22-8-3-4-9-22;1-18-13-8-9-14-15(10-13)16(11-19(2)17(14)20)12-6-4-3-5-7-12;1-14-7-10-5-9-3-4-15(2)13(16)12(9)6-11(10)8-14;1-13-9-11(7-8-12(13)14)10-5-3-2-4-6-10;2*1-14-3-2-7-4-9-10(13-6-12-9)5-8(7)11(14)15;1-13-3-2-7-4-9-10(15-6-12-9)5-8(7)11(13)14/h3-4,11-12,19H,5-10H2,1-2H3,(H,20,23);5-6,11-12,19H,3-4,7-10H2,1-2H3,(H,20,23);3-11,18H,1-2H3;3-6H,7-8H2,1-2H3;2-9H,1H3;2*2-6H,1H3,(H,12,13);2-6H,1H3.

What are the key properties of 2,6-dimethyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;bis(6-methyl-1H-imidazo[4,5-g]isoquinolin-5-one);2-methyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide;2-methyl-6-(methylamino)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;2-methyl-6-(methylamino)-4-phenylisoquinolin-1-one;1-methyl-5-phenylpyridin-2-one;6-methyl-[1,3]thiazolo[4,5-g]isoquinolin-5-one?

2,6-dimethyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;bis(6-methyl-1H-imidazo[4,5-g]isoquinolin-5-one);2-methyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide;2-methyl-6-(methylamino)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;2-methyl-6-(methylamino)-4-phenylisoquinolin-1-one;1-methyl-5-phenylpyridin-2-one;6-methyl-[1,3]thiazolo[4,5-g]isoquinolin-5-one has a molecular weight of 1951.34 g/mol, XLogP of 13.81, 13 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;bis(6-methyl-1H-imidazo[4,5-g]isoquinolin-5-one);2-methyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide;2-methyl-6-(methylamino)-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;2-methyl-6-(methylamino)-4-phenylisoquinolin-1-one;1-methyl-5-phenylpyridin-2-one;6-methyl-[1,3]thiazolo[4,5-g]isoquinolin-5-one is sourced from PubChem (CID 159621640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).