8-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

C26H31N3O5 — CID 25015442

IUPAC8-[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)-c1cc(OCCN(C)C)ccc1C3=O
InChIInChI=1S/C26H31N3O5/c1-27(2)9-10-29-24-19-13-16(34-12-11-28(3)4)7-8-17(19)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
InChIKeyVCMGIJARUMPUHC-UHFFFAOYSA-N
MW465.55 g/mol
LogP2.73
Rot. Bonds9

About 8-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

8-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 25015442) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is 8-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name8-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
PubChem CID25015442
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Name8-[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)-c1cc(OCCN(C)C)ccc1C3=O
InChIInChI=1S/C26H31N3O5/c1-27(2)9-10-29-24-19-13-16(34-12-11-28(3)4)7-8-17(19)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
InChIKeyVCMGIJARUMPUHC-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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Related Compounds

9-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
CID 24881823
9-[2-(dimethylamino)ethoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 24881885
6-[2-(dimethylamino)ethyl]-8-hydroxyindeno[1,2-c]isoquinoline-5,11-dione
CID 54586247
15-[3-(dimethylamino)propoxy]-16-methoxy-20-(3-morpholin-4-ylpropyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione
CID 86765191
9-chloro-5-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione
CID 54673288
6-(3-azidopropyl)-2,3,8,9-tetramethoxyindeno[1,2-c]isoquinoline-5,11-dione
CID 10599655
6-[4-[2-(dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione
CID 46190225
2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one
CID 82579503
2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one
CID 57439818
2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one
CID 46889252
9-chloro-5-[3-(dimethylamino)propyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione
CID 54673291
2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione
CID 67003258

Frequently Asked Questions

What is the IUPAC name of 8-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 8-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione (CID 25015442) is 8-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 8-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 8-[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)-c1cc(OCCN(C)C)ccc1C3=O.
What is the InChIKey of 8-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is VCMGIJARUMPUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-27(2)9-10-29-24-19-13-16(34-12-11-28(3)4)7-8-17(19)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 8-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione?
8-[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 8-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 25015442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).