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

C20H18N2O2 — CID 24881951

IUPAC6-[2-(dimethylamino)ethyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESCN(C)CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C20H18N2O2/c1-21(2)11-12-22-18-14-8-4-5-9-15(14)19(23)17(18)13-7-3-6-10-16(13)20(22)24/h3-10H,11-12H2,1-2H3
InChIKeyICJPFVSSXJRLPN-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.77
Rot. Bonds3

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

6-[2-(dimethylamino)ethyl]indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 24881951) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl]indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl]indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID24881951
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name6-[2-(dimethylamino)ethyl]indeno[1,2-c]isoquinoline-5,11-dione
SMILESCN(C)CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C20H18N2O2/c1-21(2)11-12-22-18-14-8-4-5-9-15(14)19(23)17(18)13-7-3-6-10-16(13)20(22)24/h3-10H,11-12H2,1-2H3
InChIKeyICJPFVSSXJRLPN-UHFFFAOYSA-N
XLogP2.77
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.77
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-[2-(dimethylamino)ethyl]indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 6-[2-(dimethylamino)ethyl]indeno[1,2-c]isoquinoline-5,11-dione (CID 24881951) is 6-[2-(dimethylamino)ethyl]indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl]indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 6-[2-(dimethylamino)ethyl]indeno[1,2-c]isoquinoline-5,11-dione is CN(C)CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2.
What is the InChIKey of 6-[2-(dimethylamino)ethyl]indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is ICJPFVSSXJRLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-21(2)11-12-22-18-14-8-4-5-9-15(14)19(23)17(18)13-7-3-6-10-16(13)20(22)24/h3-10H,11-12H2,1-2H3.
What are the key properties of 6-[2-(dimethylamino)ethyl]indeno[1,2-c]isoquinoline-5,11-dione?
6-[2-(dimethylamino)ethyl]indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 318.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl]indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 24881951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).