2-[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione

C17H17N3O2 — CID 67868318

IUPAC2-[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione
SMILESCN(C)CCNc1ccc2c(n1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H17N3O2/c1-20(2)10-9-18-14-8-7-13-15(19-14)17(22)12-6-4-3-5-11(12)16(13)21/h3-8H,9-10H2,1-2H3,(H,18,19)
InChIKeyKBXWXAAPYQJKKW-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.83
Rot. Bonds4

About 2-[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione

2-[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione (PubChem CID 67868318) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione
PubChem CID67868318
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione
SMILESCN(C)CCNc1ccc2c(n1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H17N3O2/c1-20(2)10-9-18-14-8-7-13-15(19-14)17(22)12-6-4-3-5-11(12)16(13)21/h3-8H,9-10H2,1-2H3,(H,18,19)
InChIKeyKBXWXAAPYQJKKW-UHFFFAOYSA-N
XLogP1.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione (CID 67868318) is 2-[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione is CN(C)CCNc1ccc2c(n1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione?
The InChIKey is KBXWXAAPYQJKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20(2)10-9-18-14-8-7-13-15(19-14)17(22)12-6-4-3-5-11(12)16(13)21/h3-8H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione?
2-[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione has a molecular weight of 295.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione is sourced from PubChem (CID 67868318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).