6-acetyl-7-chloroindolizino[2,3-g]quinoline-5,12-dione

C17H9ClN2O3 — CID 44567531

IUPAC6-acetyl-7-chloroindolizino[2,3-g]quinoline-5,12-dione
SMILESCC(=O)c1c2c(n3cccc(Cl)c13)C(=O)c1ncccc1C2=O
InChIInChI=1S/C17H9ClN2O3/c1-8(21)11-12-15(20-7-3-5-10(18)14(11)20)17(23)13-9(16(12)22)4-2-6-19-13/h2-7H,1H3
InChIKeyCLKMBGAACOYRLO-UHFFFAOYSA-N
MW324.72 g/mol
LogP2.97
Rot. Bonds1

About 6-acetyl-7-chloroindolizino[2,3-g]quinoline-5,12-dione

6-acetyl-7-chloroindolizino[2,3-g]quinoline-5,12-dione (PubChem CID 44567531) has the molecular formula C17H9ClN2O3 and a molecular weight of 324.72 g/mol. Its IUPAC name is 6-acetyl-7-chloroindolizino[2,3-g]quinoline-5,12-dione.

Molecular Properties

Compound Name6-acetyl-7-chloroindolizino[2,3-g]quinoline-5,12-dione
PubChem CID44567531
Molecular FormulaC17H9ClN2O3
Molecular Weight324.72 g/mol
Exact Mass324.03
IUPAC Name6-acetyl-7-chloroindolizino[2,3-g]quinoline-5,12-dione
SMILESCC(=O)c1c2c(n3cccc(Cl)c13)C(=O)c1ncccc1C2=O
InChIInChI=1S/C17H9ClN2O3/c1-8(21)11-12-15(20-7-3-5-10(18)14(11)20)17(23)13-9(16(12)22)4-2-6-19-13/h2-7H,1H3
InChIKeyCLKMBGAACOYRLO-UHFFFAOYSA-N
XLogP2.97
TPSA68.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.72
LogP ≤ 52.97
H-Bond Donors ≤ 50
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 6-acetyl-7-chloroindolizino[2,3-g]quinoline-5,12-dione?
The IUPAC name of 6-acetyl-7-chloroindolizino[2,3-g]quinoline-5,12-dione (CID 44567531) is 6-acetyl-7-chloroindolizino[2,3-g]quinoline-5,12-dione.
What is the SMILES notation for 6-acetyl-7-chloroindolizino[2,3-g]quinoline-5,12-dione?
The canonical SMILES for 6-acetyl-7-chloroindolizino[2,3-g]quinoline-5,12-dione is CC(=O)c1c2c(n3cccc(Cl)c13)C(=O)c1ncccc1C2=O.
What is the InChIKey of 6-acetyl-7-chloroindolizino[2,3-g]quinoline-5,12-dione?
The InChIKey is CLKMBGAACOYRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClN2O3/c1-8(21)11-12-15(20-7-3-5-10(18)14(11)20)17(23)13-9(16(12)22)4-2-6-19-13/h2-7H,1H3.
What are the key properties of 6-acetyl-7-chloroindolizino[2,3-g]quinoline-5,12-dione?
6-acetyl-7-chloroindolizino[2,3-g]quinoline-5,12-dione has a molecular weight of 324.72 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-7-chloroindolizino[2,3-g]quinoline-5,12-dione is sourced from PubChem (CID 44567531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).