3-(1-benzofuran-2-carbonyl)-7-chloro-1H-quinoline-2,4-dione

C18H10ClNO4 — CID 19736607

IUPAC3-(1-benzofuran-2-carbonyl)-7-chloro-1H-quinoline-2,4-dione
SMILESO=C1Nc2cc(Cl)ccc2C(=O)C1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C18H10ClNO4/c19-10-5-6-11-12(8-10)20-18(23)15(16(11)21)17(22)14-7-9-3-1-2-4-13(9)24-14/h1-8,15H,(H,20,23)
InChIKeyFCEVOXIAQJJSQY-UHFFFAOYSA-N
MW339.73 g/mol
LogP3.72
Rot. Bonds2

About 3-(1-benzofuran-2-carbonyl)-7-chloro-1H-quinoline-2,4-dione

3-(1-benzofuran-2-carbonyl)-7-chloro-1H-quinoline-2,4-dione (PubChem CID 19736607) has the molecular formula C18H10ClNO4 and a molecular weight of 339.73 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-7-chloro-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-7-chloro-1H-quinoline-2,4-dione
PubChem CID19736607
Molecular FormulaC18H10ClNO4
Molecular Weight339.73 g/mol
Exact Mass339.03
IUPAC Name3-(1-benzofuran-2-carbonyl)-7-chloro-1H-quinoline-2,4-dione
SMILESO=C1Nc2cc(Cl)ccc2C(=O)C1C(=O)c1cc2ccccc2o1
InChIInChI=1S/C18H10ClNO4/c19-10-5-6-11-12(8-10)20-18(23)15(16(11)21)17(22)14-7-9-3-1-2-4-13(9)24-14/h1-8,15H,(H,20,23)
InChIKeyFCEVOXIAQJJSQY-UHFFFAOYSA-N
XLogP3.72
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.73
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-7-chloro-1H-quinoline-2,4-dione?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-7-chloro-1H-quinoline-2,4-dione (CID 19736607) is 3-(1-benzofuran-2-carbonyl)-7-chloro-1H-quinoline-2,4-dione.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-7-chloro-1H-quinoline-2,4-dione?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-7-chloro-1H-quinoline-2,4-dione is O=C1Nc2cc(Cl)ccc2C(=O)C1C(=O)c1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-7-chloro-1H-quinoline-2,4-dione?
The InChIKey is FCEVOXIAQJJSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClNO4/c19-10-5-6-11-12(8-10)20-18(23)15(16(11)21)17(22)14-7-9-3-1-2-4-13(9)24-14/h1-8,15H,(H,20,23).
What are the key properties of 3-(1-benzofuran-2-carbonyl)-7-chloro-1H-quinoline-2,4-dione?
3-(1-benzofuran-2-carbonyl)-7-chloro-1H-quinoline-2,4-dione has a molecular weight of 339.73 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-7-chloro-1H-quinoline-2,4-dione is sourced from PubChem (CID 19736607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).