4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;4-[4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide;[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl] 5-methyl-1,3-dihydroisoindole-2-carboxylate

C103H87N9O9 — CID 158111542

About 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;4-[4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide;[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl] 5-methyl-1,3-dihydroisoindole-2-carboxylate

4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;4-[4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide;[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl] 5-methyl-1,3-dihydroisoindole-2-carboxylate (PubChem CID 158111542) has the molecular formula C103H87N9O9 and a molecular weight of 1594.88 g/mol. Its IUPAC name is 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;4-[4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide;[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl] 5-methyl-1,3-dihydroisoindole-2-carboxylate.

Molecular Properties

• Compound Name: 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;4-[4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide;[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl] 5-methyl-1,3-dihydroisoindole-2-carboxylate
• PubChem CID: 158111542
• Molecular Formula: C103H87N9O9
• Molecular Weight: 1594.88 g/mol
• Exact Mass: 1593.66
• IUPAC Name: 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;4-[4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide;[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl] 5-methyl-1,3-dihydroisoindole-2-carboxylate
• SMILES: Cc1cc(CC(=O)N2CCc3ccccc32)ccc1-c1c[nH]c(=O)c2ccccc12.Cc1cc(CC(=O)N2Cc3ccccc3C2)ccc1-c1c[nH]c(=O)c2ccccc12.Cc1ccc2c(=O)[nH]cc(-c3ccc(NC(=O)N4CCc5ccccc54)cc3)c2c1.Cc1ccc2c(c1)CN(C(=O)Oc1ccc(-c3c[nH]c(=O)c4ccc(C)cc34)cc1)C2
• InChI: InChI=1S/C26H22N2O3.2C26H22N2O2.C25H21N3O2/c1-16-3-5-19-14-28(15-20(19)11-16)26(30)31-21-8-6-18(7-9-21)24-13-27-25(29)22-10-4-17(2)12-23(22)24;1-17-14-18(15-25(29)28-13-12-19-6-2-5-9-24(19)28)10-11-20(17)23-16-27-26(30)22-8-4-3-7-21(22)23;1-17-12-18(13-25(29)28-15-19-6-2-3-7-20(19)16-28)10-11-21(17)24-14-27-26(30)23-9-5-4-8-22(23)24;1-16-6-11-20-21(14-16)22(15-26-24(20)29)17-7-9-19(10-8-17)27-25(30)28-13-12-18-4-2-3-5-23(18)28/h3-13H,14-15H2,1-2H3,(H,27,29);2-11,14,16H,12-13,15H2,1H3,(H,27,30);2-12,14H,13,15-16H2,1H3,(H,27,30);2-11,14-15H,12-13H2,1H3,(H,26,29)(H,27,30)
• InChIKey: FQMOSPUZLSGQLJ-UHFFFAOYSA-N
• XLogP: 19.65
• TPSA: 233.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1594.88
LogP ≤ 5	19.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;4-[4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide;[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl] 5-methyl-1,3-dihydroisoindole-2-carboxylate?

The IUPAC name of 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;4-[4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide;[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl] 5-methyl-1,3-dihydroisoindole-2-carboxylate (CID 158111542) is 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;4-[4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide;[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl] 5-methyl-1,3-dihydroisoindole-2-carboxylate.

What is the SMILES notation for 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;4-[4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide;[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl] 5-methyl-1,3-dihydroisoindole-2-carboxylate?

The canonical SMILES for 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;4-[4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide;[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl] 5-methyl-1,3-dihydroisoindole-2-carboxylate is Cc1cc(CC(=O)N2CCc3ccccc32)ccc1-c1c[nH]c(=O)c2ccccc12.Cc1cc(CC(=O)N2Cc3ccccc3C2)ccc1-c1c[nH]c(=O)c2ccccc12.Cc1ccc2c(=O)[nH]cc(-c3ccc(NC(=O)N4CCc5ccccc54)cc3)c2c1.Cc1ccc2c(c1)CN(C(=O)Oc1ccc(-c3c[nH]c(=O)c4ccc(C)cc34)cc1)C2.

What is the InChIKey of 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;4-[4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide;[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl] 5-methyl-1,3-dihydroisoindole-2-carboxylate?

The InChIKey is FQMOSPUZLSGQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3.2C26H22N2O2.C25H21N3O2/c1-16-3-5-19-14-28(15-20(19)11-16)26(30)31-21-8-6-18(7-9-21)24-13-27-25(29)22-10-4-17(2)12-23(22)24;1-17-14-18(15-25(29)28-13-12-19-6-2-5-9-24(19)28)10-11-20(17)23-16-27-26(30)22-8-4-3-7-21(22)23;1-17-12-18(13-25(29)28-15-19-6-2-3-7-20(19)16-28)10-11-21(17)24-14-27-26(30)23-9-5-4-8-22(23)24;1-16-6-11-20-21(14-16)22(15-26-24(20)29)17-7-9-19(10-8-17)27-25(30)28-13-12-18-4-2-3-5-23(18)28/h3-13H,14-15H2,1-2H3,(H,27,29);2-11,14,16H,12-13,15H2,1H3,(H,27,30);2-12,14H,13,15-16H2,1H3,(H,27,30);2-11,14-15H,12-13H2,1H3,(H,26,29)(H,27,30).

What are the key properties of 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;4-[4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide;[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl] 5-methyl-1,3-dihydroisoindole-2-carboxylate?

4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;4-[4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide;[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl] 5-methyl-1,3-dihydroisoindole-2-carboxylate has a molecular weight of 1594.88 g/mol, XLogP of 19.65, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;4-[4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide;[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl] 5-methyl-1,3-dihydroisoindole-2-carboxylate is sourced from PubChem (CID 158111542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).