9-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

C26H31N3O5 — CID 24881823

IUPAC9-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
SMILESCOc1cc2c3c(n(CCN(C)C)c(=O)c2cc1OC)-c1ccc(OCCN(C)C)cc1C3=O
InChIInChI=1S/C26H31N3O5/c1-27(2)9-10-29-24-17-8-7-16(34-12-11-28(3)4)13-19(17)25(30)23(24)18-14-21(32-5)22(33-6)15-20(18)26(29)31/h7-8,13-15H,9-12H2,1-6H3
InChIKeyUMPNEILIWMPHIU-UHFFFAOYSA-N
MW465.55 g/mol
LogP2.73
Rot. Bonds9

About 9-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

9-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 24881823) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is 9-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name9-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
PubChem CID24881823
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Name9-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
SMILESCOc1cc2c3c(n(CCN(C)C)c(=O)c2cc1OC)-c1ccc(OCCN(C)C)cc1C3=O
InChIInChI=1S/C26H31N3O5/c1-27(2)9-10-29-24-17-8-7-16(34-12-11-28(3)4)13-19(17)25(30)23(24)18-14-21(32-5)22(33-6)15-20(18)26(29)31/h7-8,13-15H,9-12H2,1-6H3
InChIKeyUMPNEILIWMPHIU-UHFFFAOYSA-N
XLogP2.73
TPSA73.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 9-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione (CID 24881823) is 9-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 9-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 9-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione is COc1cc2c3c(n(CCN(C)C)c(=O)c2cc1OC)-c1ccc(OCCN(C)C)cc1C3=O.
What is the InChIKey of 9-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is UMPNEILIWMPHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-27(2)9-10-29-24-17-8-7-16(34-12-11-28(3)4)13-19(17)25(30)23(24)18-14-21(32-5)22(33-6)15-20(18)26(29)31/h7-8,13-15H,9-12H2,1-6H3.
What are the key properties of 9-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione?
9-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 465.55 g/mol, XLogP of 2.73, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 24881823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).