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

C25H29N3O3 — CID 24881885

IUPAC9-[2-(dimethylamino)ethoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESCN(C)CCCn1c2c(c3ccccc3c1=O)C(=O)c1cc(OCCN(C)C)ccc1-2
InChIInChI=1S/C25H29N3O3/c1-26(2)12-7-13-28-23-19-11-10-17(31-15-14-27(3)4)16-21(19)24(29)22(23)18-8-5-6-9-20(18)25(28)30/h5-6,8-11,16H,7,12-15H2,1-4H3
InChIKeyANAAVSLAKWHNKD-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.11
Rot. Bonds8

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

9-[2-(dimethylamino)ethoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 24881885) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 9-[2-(dimethylamino)ethoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name9-[2-(dimethylamino)ethoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID24881885
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name9-[2-(dimethylamino)ethoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESCN(C)CCCn1c2c(c3ccccc3c1=O)C(=O)c1cc(OCCN(C)C)ccc1-2
InChIInChI=1S/C25H29N3O3/c1-26(2)12-7-13-28-23-19-11-10-17(31-15-14-27(3)4)16-21(19)24(29)22(23)18-8-5-6-9-20(18)25(28)30/h5-6,8-11,16H,7,12-15H2,1-4H3
InChIKeyANAAVSLAKWHNKD-UHFFFAOYSA-N
XLogP3.11
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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
8-[2-(dimethylamino)ethoxy]-6-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
CID 25015442
6-[2-(dimethylamino)ethyl]-8-hydroxyindeno[1,2-c]isoquinoline-5,11-dione
CID 54586247
6-[3-(dimethylamino)propyl]indeno[1,2-h][1,6]naphthyridine-5,11-dione
CID 127044404
6-[3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 158110774
6-[4-[2-(dimethylamino)ethoxy]phenyl]-3,9-dihydroxyindeno[1,2-c]isoquinoline-5,11-dione
CID 46190225
3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)propyl 2-aminoacetate;hydrochloride
CID 52949231
20-[3-(dimethylamino)propyl]-15,16-bis(hydroxymethyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione
CID 162494622
2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one
CID 82579503
20-[3-(dimethylamino)propyl]-11,19-dioxo-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-16-carbonitrile
CID 71544868
6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 54581116
2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium
CID 59799530

Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimethylamino)ethoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 9-[2-(dimethylamino)ethoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione (CID 24881885) is 9-[2-(dimethylamino)ethoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 9-[2-(dimethylamino)ethoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 9-[2-(dimethylamino)ethoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione is CN(C)CCCn1c2c(c3ccccc3c1=O)C(=O)c1cc(OCCN(C)C)ccc1-2.
What is the InChIKey of 9-[2-(dimethylamino)ethoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is ANAAVSLAKWHNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-26(2)12-7-13-28-23-19-11-10-17(31-15-14-27(3)4)16-21(19)24(29)22(23)18-8-5-6-9-20(18)25(28)30/h5-6,8-11,16H,7,12-15H2,1-4H3.
What are the key properties of 9-[2-(dimethylamino)ethoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
9-[2-(dimethylamino)ethoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 419.53 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimethylamino)ethoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 24881885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).