7-[3-(dimethylamino)propoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione

C26H31N3O3 — CID 54583379

IUPAC7-[3-(dimethylamino)propoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESCN(C)CCCOc1cccc2c1-c1c(c3ccccc3c(=O)n1CCCN(C)C)C2=O
InChIInChI=1S/C26H31N3O3/c1-27(2)14-8-16-29-24-22-20(12-7-13-21(22)32-17-9-15-28(3)4)25(30)23(24)18-10-5-6-11-19(18)26(29)31/h5-7,10-13H,8-9,14-17H2,1-4H3
InChIKeyBMADHZQYXYDZKG-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.50
Rot. Bonds9

About 7-[3-(dimethylamino)propoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione

7-[3-(dimethylamino)propoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 54583379) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 7-[3-(dimethylamino)propoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name7-[3-(dimethylamino)propoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID54583379
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name7-[3-(dimethylamino)propoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESCN(C)CCCOc1cccc2c1-c1c(c3ccccc3c(=O)n1CCCN(C)C)C2=O
InChIInChI=1S/C26H31N3O3/c1-27(2)14-8-16-29-24-22-20(12-7-13-21(22)32-17-9-15-28(3)4)25(30)23(24)18-10-5-6-11-19(18)26(29)31/h5-7,10-13H,8-9,14-17H2,1-4H3
InChIKeyBMADHZQYXYDZKG-UHFFFAOYSA-N
XLogP3.50
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)propoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 7-[3-(dimethylamino)propoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione (CID 54583379) is 7-[3-(dimethylamino)propoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 7-[3-(dimethylamino)propoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 7-[3-(dimethylamino)propoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione is CN(C)CCCOc1cccc2c1-c1c(c3ccccc3c(=O)n1CCCN(C)C)C2=O.
What is the InChIKey of 7-[3-(dimethylamino)propoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is BMADHZQYXYDZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-27(2)14-8-16-29-24-22-20(12-7-13-21(22)32-17-9-15-28(3)4)25(30)23(24)18-10-5-6-11-19(18)26(29)31/h5-7,10-13H,8-9,14-17H2,1-4H3.
What are the key properties of 7-[3-(dimethylamino)propoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
7-[3-(dimethylamino)propoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 433.55 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)propoxy]-6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 54583379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).