6-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylisoquinolin-1-one;7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-6-one;6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-5-one;2-methyl-6-(1-methyl-4,5-dihydroimidazol-2-yl)isoquinolin-1-one;2-methyl-6-(3-morpholin-4-ylpropylamino)isoquinolin-1-one;2-methyl-6-(3-piperidin-1-ylpropylamino)isoquinolin-1-one;2-methyl-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-1-one;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-1-one

C119H143N21O10 — CID 159366073

About 6-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylisoquinolin-1-one;7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-6-one;6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-5-one;2-methyl-6-(1-methyl-4,5-dihydroimidazol-2-yl)isoquinolin-1-one;2-methyl-6-(3-morpholin-4-ylpropylamino)isoquinolin-1-one;2-methyl-6-(3-piperidin-1-ylpropylamino)isoquinolin-1-one;2-methyl-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-1-one;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-1-one

6-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylisoquinolin-1-one;7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-6-one;6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-5-one;2-methyl-6-(1-methyl-4,5-dihydroimidazol-2-yl)isoquinolin-1-one;2-methyl-6-(3-morpholin-4-ylpropylamino)isoquinolin-1-one;2-methyl-6-(3-piperidin-1-ylpropylamino)isoquinolin-1-one;2-methyl-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-1-one;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-1-one (PubChem CID 159366073) has the molecular formula C119H143N21O10 and a molecular weight of 2027.59 g/mol. Its IUPAC name is 6-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylisoquinolin-1-one;7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-6-one;6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-5-one;2-methyl-6-(1-methyl-4,5-dihydroimidazol-2-yl)isoquinolin-1-one;2-methyl-6-(3-morpholin-4-ylpropylamino)isoquinolin-1-one;2-methyl-6-(3-piperidin-1-ylpropylamino)isoquinolin-1-one;2-methyl-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-1-one;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-1-one.

Molecular Properties

• Compound Name: 6-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylisoquinolin-1-one;7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-6-one;6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-5-one;2-methyl-6-(1-methyl-4,5-dihydroimidazol-2-yl)isoquinolin-1-one;2-methyl-6-(3-morpholin-4-ylpropylamino)isoquinolin-1-one;2-methyl-6-(3-piperidin-1-ylpropylamino)isoquinolin-1-one;2-methyl-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-1-one;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-1-one
• PubChem CID: 159366073
• Molecular Formula: C119H143N21O10
• Molecular Weight: 2027.59 g/mol
• Exact Mass: 2026.13
• IUPAC Name: 6-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylisoquinolin-1-one;7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-6-one;6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-5-one;2-methyl-6-(1-methyl-4,5-dihydroimidazol-2-yl)isoquinolin-1-one;2-methyl-6-(3-morpholin-4-ylpropylamino)isoquinolin-1-one;2-methyl-6-(3-piperidin-1-ylpropylamino)isoquinolin-1-one;2-methyl-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-1-one;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-1-one
• SMILES: CN1CCN=C1c1ccc2c(=O)n(C)ccc2c1.Cn1ccc2c3c(ccc2c1=O)NCC3.Cn1ccc2cc(C3=NCCO3)ccc2c1=O.Cn1ccc2cc(NCCCN3CCCC3)ccc2c1=O.Cn1ccc2cc(NCCCN3CCCCC3)ccc2c1=O.Cn1ccc2cc(NCCCN3CCOCC3)ccc2c1=O.Cn1ccc2cc(NCCN3CCCC3)ccc2c1=O.Cn1ccc2cc3c(cc2c1=O)CCN3
• InChI: InChI=1S/C18H25N3O.C17H23N3O2.C17H23N3O.C16H21N3O.C14H15N3O.C13H12N2O2.2C12H12N2O/c1-20-13-8-15-14-16(6-7-17(15)18(20)22)19-9-5-12-21-10-3-2-4-11-21;1-19-8-5-14-13-15(3-4-16(14)17(19)21)18-6-2-7-20-9-11-22-12-10-20;1-19-12-7-14-13-15(5-6-16(14)17(19)21)18-8-4-11-20-9-2-3-10-20;1-18-10-6-13-12-14(4-5-15(13)16(18)20)17-7-11-19-8-2-3-9-19;1-16-8-6-15-13(16)11-3-4-12-10(9-11)5-7-17(2)14(12)18;1-15-6-4-9-8-10(12-14-5-7-17-12)2-3-11(9)13(15)16;1-14-5-3-8-7-11-9(2-4-13-11)6-10(8)12(14)15;1-14-7-5-8-9-4-6-13-11(9)3-2-10(8)12(14)15/h6-8,13-14,19H,2-5,9-12H2,1H3;3-5,8,13,18H,2,6-7,9-12H2,1H3;5-7,12-13,18H,2-4,8-11H2,1H3;4-6,10,12,17H,2-3,7-9,11H2,1H3;3-5,7,9H,6,8H2,1-2H3;2-4,6,8H,5,7H2,1H3;3,5-7,13H,2,4H2,1H3;2-3,5,7,13H,4,6H2,1H3
• InChIKey: LJDKUOYMQXZMCQ-UHFFFAOYSA-N
• XLogP: 14.54
• TPSA: 307.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2027.59
LogP ≤ 5	14.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylisoquinolin-1-one;7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-6-one;6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-5-one;2-methyl-6-(1-methyl-4,5-dihydroimidazol-2-yl)isoquinolin-1-one;2-methyl-6-(3-morpholin-4-ylpropylamino)isoquinolin-1-one;2-methyl-6-(3-piperidin-1-ylpropylamino)isoquinolin-1-one;2-methyl-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-1-one;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-1-one?

The IUPAC name of 6-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylisoquinolin-1-one;7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-6-one;6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-5-one;2-methyl-6-(1-methyl-4,5-dihydroimidazol-2-yl)isoquinolin-1-one;2-methyl-6-(3-morpholin-4-ylpropylamino)isoquinolin-1-one;2-methyl-6-(3-piperidin-1-ylpropylamino)isoquinolin-1-one;2-methyl-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-1-one;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-1-one (CID 159366073) is 6-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylisoquinolin-1-one;7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-6-one;6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-5-one;2-methyl-6-(1-methyl-4,5-dihydroimidazol-2-yl)isoquinolin-1-one;2-methyl-6-(3-morpholin-4-ylpropylamino)isoquinolin-1-one;2-methyl-6-(3-piperidin-1-ylpropylamino)isoquinolin-1-one;2-methyl-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-1-one;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-1-one.

What is the SMILES notation for 6-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylisoquinolin-1-one;7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-6-one;6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-5-one;2-methyl-6-(1-methyl-4,5-dihydroimidazol-2-yl)isoquinolin-1-one;2-methyl-6-(3-morpholin-4-ylpropylamino)isoquinolin-1-one;2-methyl-6-(3-piperidin-1-ylpropylamino)isoquinolin-1-one;2-methyl-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-1-one;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-1-one?

The canonical SMILES for 6-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylisoquinolin-1-one;7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-6-one;6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-5-one;2-methyl-6-(1-methyl-4,5-dihydroimidazol-2-yl)isoquinolin-1-one;2-methyl-6-(3-morpholin-4-ylpropylamino)isoquinolin-1-one;2-methyl-6-(3-piperidin-1-ylpropylamino)isoquinolin-1-one;2-methyl-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-1-one;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-1-one is CN1CCN=C1c1ccc2c(=O)n(C)ccc2c1.Cn1ccc2c3c(ccc2c1=O)NCC3.Cn1ccc2cc(C3=NCCO3)ccc2c1=O.Cn1ccc2cc(NCCCN3CCCC3)ccc2c1=O.Cn1ccc2cc(NCCCN3CCCCC3)ccc2c1=O.Cn1ccc2cc(NCCCN3CCOCC3)ccc2c1=O.Cn1ccc2cc(NCCN3CCCC3)ccc2c1=O.Cn1ccc2cc3c(cc2c1=O)CCN3.

What is the InChIKey of 6-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylisoquinolin-1-one;7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-6-one;6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-5-one;2-methyl-6-(1-methyl-4,5-dihydroimidazol-2-yl)isoquinolin-1-one;2-methyl-6-(3-morpholin-4-ylpropylamino)isoquinolin-1-one;2-methyl-6-(3-piperidin-1-ylpropylamino)isoquinolin-1-one;2-methyl-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-1-one;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-1-one?

The InChIKey is LJDKUOYMQXZMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O.C17H23N3O2.C17H23N3O.C16H21N3O.C14H15N3O.C13H12N2O2.2C12H12N2O/c1-20-13-8-15-14-16(6-7-17(15)18(20)22)19-9-5-12-21-10-3-2-4-11-21;1-19-8-5-14-13-15(3-4-16(14)17(19)21)18-6-2-7-20-9-11-22-12-10-20;1-19-12-7-14-13-15(5-6-16(14)17(19)21)18-8-4-11-20-9-2-3-10-20;1-18-10-6-13-12-14(4-5-15(13)16(18)20)17-7-11-19-8-2-3-9-19;1-16-8-6-15-13(16)11-3-4-12-10(9-11)5-7-17(2)14(12)18;1-15-6-4-9-8-10(12-14-5-7-17-12)2-3-11(9)13(15)16;1-14-5-3-8-7-11-9(2-4-13-11)6-10(8)12(14)15;1-14-7-5-8-9-4-6-13-11(9)3-2-10(8)12(14)15/h6-8,13-14,19H,2-5,9-12H2,1H3;3-5,8,13,18H,2,6-7,9-12H2,1H3;5-7,12-13,18H,2-4,8-11H2,1H3;4-6,10,12,17H,2-3,7-9,11H2,1H3;3-5,7,9H,6,8H2,1-2H3;2-4,6,8H,5,7H2,1H3;3,5-7,13H,2,4H2,1H3;2-3,5,7,13H,4,6H2,1H3.

What are the key properties of 6-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylisoquinolin-1-one;7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-6-one;6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-5-one;2-methyl-6-(1-methyl-4,5-dihydroimidazol-2-yl)isoquinolin-1-one;2-methyl-6-(3-morpholin-4-ylpropylamino)isoquinolin-1-one;2-methyl-6-(3-piperidin-1-ylpropylamino)isoquinolin-1-one;2-methyl-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-1-one;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-1-one?

6-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylisoquinolin-1-one;7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-6-one;6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-5-one;2-methyl-6-(1-methyl-4,5-dihydroimidazol-2-yl)isoquinolin-1-one;2-methyl-6-(3-morpholin-4-ylpropylamino)isoquinolin-1-one;2-methyl-6-(3-piperidin-1-ylpropylamino)isoquinolin-1-one;2-methyl-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-1-one;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-1-one has a molecular weight of 2027.59 g/mol, XLogP of 14.54, 21 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylisoquinolin-1-one;7-methyl-2,3-dihydro-1H-pyrrolo[3,2-f]isoquinolin-6-one;6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-5-one;2-methyl-6-(1-methyl-4,5-dihydroimidazol-2-yl)isoquinolin-1-one;2-methyl-6-(3-morpholin-4-ylpropylamino)isoquinolin-1-one;2-methyl-6-(3-piperidin-1-ylpropylamino)isoquinolin-1-one;2-methyl-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-1-one;2-methyl-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-1-one is sourced from PubChem (CID 159366073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).