7-[5-[3-(4-ethylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-hydroxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-hydroxypropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;5-methoxy-7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one

C120H119N15O15 — CID 158978853

About 7-[5-[3-(4-ethylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-hydroxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-hydroxypropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;5-methoxy-7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one

7-[5-[3-(4-ethylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-hydroxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-hydroxypropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;5-methoxy-7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one (PubChem CID 158978853) has the molecular formula C120H119N15O15 and a molecular weight of 2011.36 g/mol. Its IUPAC name is 7-[5-[3-(4-ethylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-hydroxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-hydroxypropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;5-methoxy-7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: 7-[5-[3-(4-ethylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-hydroxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-hydroxypropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;5-methoxy-7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one
• PubChem CID: 158978853
• Molecular Formula: C120H119N15O15
• Molecular Weight: 2011.36 g/mol
• Exact Mass: 2009.90
• IUPAC Name: 7-[5-[3-(4-ethylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-hydroxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-hydroxypropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;5-methoxy-7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one
• SMILES: CCN1CCN(CCCOc2ccc3[nH]c(-c4cccc5c4C(=O)NC5)cc3c2)CC1.COc1cc2c(c(-c3cc4cc(OC)ccc4[nH]3)c1)C(=O)NC2.COc1ccc2[nH]c(-c3cccc4c3C(=O)NC4)cc2c1.O=C1NCc2cccc(-c3cc4cc(O)ccc4[nH]3)c21.O=C1NCc2cccc(-c3cc4cc(OCCCN5CCC(CO)CC5)ccc4[nH]3)c21.O=C1NCc2cccc(-c3cc4cc(OCCCO)ccc4[nH]3)c21
• InChI: InChI=1S/C25H30N4O2.C25H29N3O3.C19H18N2O3.C18H16N2O3.C17H14N2O2.C16H12N2O2/c1-2-28-10-12-29(13-11-28)9-4-14-31-20-7-8-22-19(15-20)16-23(27-22)21-6-3-5-18-17-26-25(30)24(18)21;29-16-17-7-10-28(11-8-17)9-2-12-31-20-5-6-22-19(13-20)14-23(27-22)21-4-1-3-18-15-26-25(30)24(18)21;22-7-2-8-24-14-5-6-16-13(9-14)10-17(21-16)15-4-1-3-12-11-20-19(23)18(12)15;1-22-12-3-4-15-10(5-12)7-16(20-15)14-8-13(23-2)6-11-9-19-18(21)17(11)14;1-21-12-5-6-14-11(7-12)8-15(19-14)13-4-2-3-10-9-18-17(20)16(10)13;19-11-4-5-13-10(6-11)7-14(18-13)12-3-1-2-9-8-17-16(20)15(9)12/h3,5-8,15-16,27H,2,4,9-14,17H2,1H3,(H,26,30);1,3-6,13-14,17,27,29H,2,7-12,15-16H2,(H,26,30);1,3-6,9-10,21-22H,2,7-8,11H2,(H,20,23);3-8,20H,9H2,1-2H3,(H,19,21);2-8,19H,9H2,1H3,(H,18,20);1-7,18-19H,8H2,(H,17,20)
• InChIKey: JOSVGBIMPYZPDG-UHFFFAOYSA-N
• XLogP: 18.84
• TPSA: 395.13 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2011.36
LogP ≤ 5	18.84
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[5-[3-(4-ethylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-hydroxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-hydroxypropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;5-methoxy-7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one?

The IUPAC name of 7-[5-[3-(4-ethylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-hydroxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-hydroxypropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;5-methoxy-7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one (CID 158978853) is 7-[5-[3-(4-ethylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-hydroxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-hydroxypropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;5-methoxy-7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one.

What is the SMILES notation for 7-[5-[3-(4-ethylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-hydroxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-hydroxypropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;5-methoxy-7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one?

The canonical SMILES for 7-[5-[3-(4-ethylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-hydroxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-hydroxypropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;5-methoxy-7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one is CCN1CCN(CCCOc2ccc3[nH]c(-c4cccc5c4C(=O)NC5)cc3c2)CC1.COc1cc2c(c(-c3cc4cc(OC)ccc4[nH]3)c1)C(=O)NC2.COc1ccc2[nH]c(-c3cccc4c3C(=O)NC4)cc2c1.O=C1NCc2cccc(-c3cc4cc(O)ccc4[nH]3)c21.O=C1NCc2cccc(-c3cc4cc(OCCCN5CCC(CO)CC5)ccc4[nH]3)c21.O=C1NCc2cccc(-c3cc4cc(OCCCO)ccc4[nH]3)c21.

What is the InChIKey of 7-[5-[3-(4-ethylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-hydroxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-hydroxypropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;5-methoxy-7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one?

The InChIKey is JOSVGBIMPYZPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2.C25H29N3O3.C19H18N2O3.C18H16N2O3.C17H14N2O2.C16H12N2O2/c1-2-28-10-12-29(13-11-28)9-4-14-31-20-7-8-22-19(15-20)16-23(27-22)21-6-3-5-18-17-26-25(30)24(18)21;29-16-17-7-10-28(11-8-17)9-2-12-31-20-5-6-22-19(13-20)14-23(27-22)21-4-1-3-18-15-26-25(30)24(18)21;22-7-2-8-24-14-5-6-16-13(9-14)10-17(21-16)15-4-1-3-12-11-20-19(23)18(12)15;1-22-12-3-4-15-10(5-12)7-16(20-15)14-8-13(23-2)6-11-9-19-18(21)17(11)14;1-21-12-5-6-14-11(7-12)8-15(19-14)13-4-2-3-10-9-18-17(20)16(10)13;19-11-4-5-13-10(6-11)7-14(18-13)12-3-1-2-9-8-17-16(20)15(9)12/h3,5-8,15-16,27H,2,4,9-14,17H2,1H3,(H,26,30);1,3-6,13-14,17,27,29H,2,7-12,15-16H2,(H,26,30);1,3-6,9-10,21-22H,2,7-8,11H2,(H,20,23);3-8,20H,9H2,1-2H3,(H,19,21);2-8,19H,9H2,1H3,(H,18,20);1-7,18-19H,8H2,(H,17,20).

What are the key properties of 7-[5-[3-(4-ethylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-hydroxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-hydroxypropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;5-methoxy-7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one?

7-[5-[3-(4-ethylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-hydroxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-hydroxypropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;5-methoxy-7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 2011.36 g/mol, XLogP of 18.84, 25 rotatable bonds, 15 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-[3-(4-ethylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-hydroxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;7-[5-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-[5-(3-hydroxypropoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one;7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one;5-methoxy-7-(5-methoxy-1H-indol-2-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158978853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).