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

C21H20N2O2 — CID 11256032

IUPAC6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESCN(C)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C21H20N2O2/c1-22(2)12-7-13-23-19-15-9-4-5-10-16(15)20(24)18(19)14-8-3-6-11-17(14)21(23)25/h3-6,8-11H,7,12-13H2,1-2H3
InChIKeyFYGFCQLVSPTQEJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.16
Rot. Bonds4

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

6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 11256032) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID11256032
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESCN(C)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C21H20N2O2/c1-22(2)12-7-13-23-19-15-9-4-5-10-16(15)20(24)18(19)14-8-3-6-11-17(14)21(23)25/h3-6,8-11H,7,12-13H2,1-2H3
InChIKeyFYGFCQLVSPTQEJ-UHFFFAOYSA-N
XLogP3.16
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione (CID 11256032) is 6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione is CN(C)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2.
What is the InChIKey of 6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is FYGFCQLVSPTQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-22(2)12-7-13-23-19-15-9-4-5-10-16(15)20(24)18(19)14-8-3-6-11-17(14)21(23)25/h3-6,8-11H,7,12-13H2,1-2H3.
What are the key properties of 6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione?
6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 332.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 11256032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).