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

C17H10N2O3 — CID 14900031

IUPAC6-acetylindolizino[2,3-g]quinoline-5,12-dione
SMILESCC(=O)c1c2c(n3ccccc13)C(=O)c1ncccc1C2=O
InChIInChI=1S/C17H10N2O3/c1-9(20)12-11-6-2-3-8-19(11)15-13(12)16(21)10-5-4-7-18-14(10)17(15)22/h2-8H,1H3
InChIKeyYAQCCSGFBJCUTD-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.31
Rot. Bonds1

About 6-acetylindolizino[2,3-g]quinoline-5,12-dione

6-acetylindolizino[2,3-g]quinoline-5,12-dione (PubChem CID 14900031) has the molecular formula C17H10N2O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 6-acetylindolizino[2,3-g]quinoline-5,12-dione.

Molecular Properties

Compound Name6-acetylindolizino[2,3-g]quinoline-5,12-dione
PubChem CID14900031
Molecular FormulaC17H10N2O3
Molecular Weight290.28 g/mol
Exact Mass290.07
IUPAC Name6-acetylindolizino[2,3-g]quinoline-5,12-dione
SMILESCC(=O)c1c2c(n3ccccc13)C(=O)c1ncccc1C2=O
InChIInChI=1S/C17H10N2O3/c1-9(20)12-11-6-2-3-8-19(11)15-13(12)16(21)10-5-4-7-18-14(10)17(15)22/h2-8H,1H3
InChIKeyYAQCCSGFBJCUTD-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 6-acetylindolizino[2,3-g]quinoline-5,12-dione?
The IUPAC name of 6-acetylindolizino[2,3-g]quinoline-5,12-dione (CID 14900031) is 6-acetylindolizino[2,3-g]quinoline-5,12-dione.
What is the SMILES notation for 6-acetylindolizino[2,3-g]quinoline-5,12-dione?
The canonical SMILES for 6-acetylindolizino[2,3-g]quinoline-5,12-dione is CC(=O)c1c2c(n3ccccc13)C(=O)c1ncccc1C2=O.
What is the InChIKey of 6-acetylindolizino[2,3-g]quinoline-5,12-dione?
The InChIKey is YAQCCSGFBJCUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O3/c1-9(20)12-11-6-2-3-8-19(11)15-13(12)16(21)10-5-4-7-18-14(10)17(15)22/h2-8H,1H3.
What are the key properties of 6-acetylindolizino[2,3-g]quinoline-5,12-dione?
6-acetylindolizino[2,3-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 6-acetylindolizino[2,3-g]quinoline-5,12-dione is sourced from PubChem (CID 14900031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).