(2,8-dihydroxy-6H-isoindolo[2,1-a]indol-11-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

C29H28N2O4 — CID 139932229

About (2,8-dihydroxy-6H-isoindolo[2,1-a]indol-11-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

(2,8-dihydroxy-6H-isoindolo[2,1-a]indol-11-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone (PubChem CID 139932229) has the molecular formula C29H28N2O4 and a molecular weight of 468.55 g/mol. Its IUPAC name is (2,8-dihydroxy-6H-isoindolo[2,1-a]indol-11-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone.

Molecular Properties

• Compound Name: (2,8-dihydroxy-6H-isoindolo[2,1-a]indol-11-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
• PubChem CID: 139932229
• Molecular Formula: C29H28N2O4
• Molecular Weight: 468.55 g/mol
• Exact Mass: 468.20
• IUPAC Name: (2,8-dihydroxy-6H-isoindolo[2,1-a]indol-11-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
• SMILES: O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2n(c3ccc(O)cc13)Cc1cc(O)ccc1-2
• InChI: InChI=1S/C29H28N2O4/c32-21-6-10-24-20(16-21)18-31-26-11-7-22(33)17-25(26)27(28(24)31)29(34)19-4-8-23(9-5-19)35-15-14-30-12-2-1-3-13-30/h4-11,16-17,32-33H,1-3,12-15,18H2
• InChIKey: HWZPVGONNGMDMP-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 74.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.55
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2,8-dihydroxy-6H-isoindolo[2,1-a]indol-11-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?

The IUPAC name of (2,8-dihydroxy-6H-isoindolo[2,1-a]indol-11-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone (CID 139932229) is (2,8-dihydroxy-6H-isoindolo[2,1-a]indol-11-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone.

What is the SMILES notation for (2,8-dihydroxy-6H-isoindolo[2,1-a]indol-11-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?

The canonical SMILES for (2,8-dihydroxy-6H-isoindolo[2,1-a]indol-11-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone is O=C(c1ccc(OCCN2CCCCC2)cc1)c1c2n(c3ccc(O)cc13)Cc1cc(O)ccc1-2.

What is the InChIKey of (2,8-dihydroxy-6H-isoindolo[2,1-a]indol-11-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?

The InChIKey is HWZPVGONNGMDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O4/c32-21-6-10-24-20(16-21)18-31-26-11-7-22(33)17-25(26)27(28(24)31)29(34)19-4-8-23(9-5-19)35-15-14-30-12-2-1-3-13-30/h4-11,16-17,32-33H,1-3,12-15,18H2.

What are the key properties of (2,8-dihydroxy-6H-isoindolo[2,1-a]indol-11-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?

(2,8-dihydroxy-6H-isoindolo[2,1-a]indol-11-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone has a molecular weight of 468.55 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2,8-dihydroxy-6H-isoindolo[2,1-a]indol-11-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone is sourced from PubChem (CID 139932229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).