2-(dimethylamino)-1-(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;2-(dimethylamino)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-6-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;N-(6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide;2-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine

C91H132N12O5S — CID 161243978

About 2-(dimethylamino)-1-(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;2-(dimethylamino)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-6-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;N-(6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide;2-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine

2-(dimethylamino)-1-(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;2-(dimethylamino)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-6-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;N-(6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide;2-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 161243978) has the molecular formula C91H132N12O5S and a molecular weight of 1506.20 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;2-(dimethylamino)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-6-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;N-(6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide;2-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

• Compound Name: 2-(dimethylamino)-1-(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;2-(dimethylamino)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-6-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;N-(6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide;2-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine
• PubChem CID: 161243978
• Molecular Formula: C91H132N12O5S
• Molecular Weight: 1506.20 g/mol
• Exact Mass: 1505.02
• IUPAC Name: 2-(dimethylamino)-1-(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;2-(dimethylamino)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-6-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;N-(6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide;2-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine
• SMILES: CC(C)c1cc2c(cn1)CN(C)C2.CC(C)c1ccc2c(c1)C(=O)NCC2.CC(C)c1ccc2c(c1)CCC(NS(C)(=O)=O)C2.CC(C)c1ccc2c(c1)CCN(C(=O)CN(C)C)C2.CC(C)c1ccc2c(c1)CN(C(=O)CN(C)C)CC2.CC(C)c1ccc2c(n1)CCNC2.CC(C)c1ccc2c(n1)CN(C)C2
• InChI: InChI=1S/2C16H24N2O.C14H21NO2S.C12H15NO.3C11H16N2/c1-12(2)13-5-6-15-10-18(8-7-14(15)9-13)16(19)11-17(3)4;1-12(2)14-6-5-13-7-8-18(10-15(13)9-14)16(19)11-17(3)4;1-10(2)11-4-5-13-9-14(15-18(3,16)17)7-6-12(13)8-11;1-8(2)10-4-3-9-5-6-13-12(14)11(9)7-10;1-8(2)11-4-9-6-13(3)7-10(9)5-12-11;1-8(2)10-5-4-9-6-13(3)7-11(9)12-10;1-8(2)10-4-3-9-7-12-6-5-11(9)13-10/h2*5-6,9,12H,7-8,10-11H2,1-4H3;4-5,8,10,14-15H,6-7,9H2,1-3H3;3-4,7-8H,5-6H2,1-2H3,(H,13,14);2*4-5,8H,6-7H2,1-3H3;3-4,8,12H,5-7H2,1-2H3
• InChIKey: VAJOJARXGQWEJK-UHFFFAOYSA-N
• XLogP: 14.98
• TPSA: 179.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1506.20
LogP ≤ 5	14.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;2-(dimethylamino)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-6-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;N-(6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide;2-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?

The IUPAC name of 2-(dimethylamino)-1-(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;2-(dimethylamino)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-6-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;N-(6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide;2-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 161243978) is 2-(dimethylamino)-1-(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;2-(dimethylamino)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-6-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;N-(6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide;2-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine.

What is the SMILES notation for 2-(dimethylamino)-1-(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;2-(dimethylamino)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-6-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;N-(6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide;2-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?

The canonical SMILES for 2-(dimethylamino)-1-(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;2-(dimethylamino)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-6-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;N-(6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide;2-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine is CC(C)c1cc2c(cn1)CN(C)C2.CC(C)c1ccc2c(c1)C(=O)NCC2.CC(C)c1ccc2c(c1)CCC(NS(C)(=O)=O)C2.CC(C)c1ccc2c(c1)CCN(C(=O)CN(C)C)C2.CC(C)c1ccc2c(c1)CN(C(=O)CN(C)C)CC2.CC(C)c1ccc2c(n1)CCNC2.CC(C)c1ccc2c(n1)CN(C)C2.

What is the InChIKey of 2-(dimethylamino)-1-(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;2-(dimethylamino)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-6-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;N-(6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide;2-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?

The InChIKey is VAJOJARXGQWEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H24N2O.C14H21NO2S.C12H15NO.3C11H16N2/c1-12(2)13-5-6-15-10-18(8-7-14(15)9-13)16(19)11-17(3)4;1-12(2)14-6-5-13-7-8-18(10-15(13)9-14)16(19)11-17(3)4;1-10(2)11-4-5-13-9-14(15-18(3,16)17)7-6-12(13)8-11;1-8(2)10-4-3-9-5-6-13-12(14)11(9)7-10;1-8(2)11-4-9-6-13(3)7-10(9)5-12-11;1-8(2)10-5-4-9-6-13(3)7-11(9)12-10;1-8(2)10-4-3-9-7-12-6-5-11(9)13-10/h2*5-6,9,12H,7-8,10-11H2,1-4H3;4-5,8,10,14-15H,6-7,9H2,1-3H3;3-4,7-8H,5-6H2,1-2H3,(H,13,14);2*4-5,8H,6-7H2,1-3H3;3-4,8,12H,5-7H2,1-2H3.

What are the key properties of 2-(dimethylamino)-1-(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;2-(dimethylamino)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-6-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;N-(6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide;2-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?

2-(dimethylamino)-1-(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;2-(dimethylamino)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-6-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;N-(6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide;2-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 1506.20 g/mol, XLogP of 14.98, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-1-(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;2-(dimethylamino)-1-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-methyl-6-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;N-(6-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide;2-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 161243978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).