11-acetylindolizino[3,2-g]quinoline-5,12-dione

C17H10N2O3 — CID 44567516

IUPAC11-acetylindolizino[3,2-g]quinoline-5,12-dione
SMILESCC(=O)c1c2c(n3ccccc13)C(=O)c1cccnc1C2=O
InChIInChI=1S/C17H10N2O3/c1-9(20)12-11-6-2-3-8-19(11)15-13(12)17(22)14-10(16(15)21)5-4-7-18-14/h2-8H,1H3
InChIKeySPDNASOLUIGJGA-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.31
Rot. Bonds1

About 11-acetylindolizino[3,2-g]quinoline-5,12-dione

11-acetylindolizino[3,2-g]quinoline-5,12-dione (PubChem CID 44567516) has the molecular formula C17H10N2O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 11-acetylindolizino[3,2-g]quinoline-5,12-dione.

Molecular Properties

Compound Name11-acetylindolizino[3,2-g]quinoline-5,12-dione
PubChem CID44567516
Molecular FormulaC17H10N2O3
Molecular Weight290.28 g/mol
Exact Mass290.07
IUPAC Name11-acetylindolizino[3,2-g]quinoline-5,12-dione
SMILESCC(=O)c1c2c(n3ccccc13)C(=O)c1cccnc1C2=O
InChIInChI=1S/C17H10N2O3/c1-9(20)12-11-6-2-3-8-19(11)15-13(12)17(22)14-10(16(15)21)5-4-7-18-14/h2-8H,1H3
InChIKeySPDNASOLUIGJGA-UHFFFAOYSA-N
XLogP2.31
TPSA68.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.31
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 11-acetylindolizino[3,2-g]quinoline-5,12-dione?
The IUPAC name of 11-acetylindolizino[3,2-g]quinoline-5,12-dione (CID 44567516) is 11-acetylindolizino[3,2-g]quinoline-5,12-dione.
What is the SMILES notation for 11-acetylindolizino[3,2-g]quinoline-5,12-dione?
The canonical SMILES for 11-acetylindolizino[3,2-g]quinoline-5,12-dione is CC(=O)c1c2c(n3ccccc13)C(=O)c1cccnc1C2=O.
What is the InChIKey of 11-acetylindolizino[3,2-g]quinoline-5,12-dione?
The InChIKey is SPDNASOLUIGJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O3/c1-9(20)12-11-6-2-3-8-19(11)15-13(12)17(22)14-10(16(15)21)5-4-7-18-14/h2-8H,1H3.
What are the key properties of 11-acetylindolizino[3,2-g]quinoline-5,12-dione?
11-acetylindolizino[3,2-g]quinoline-5,12-dione has a molecular weight of 290.28 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-acetylindolizino[3,2-g]quinoline-5,12-dione is sourced from PubChem (CID 44567516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).