2-benzoylfuro[3,2-g]quinoline-4,9-dione

C18H9NO4 — CID 142308028

IUPAC2-benzoylfuro[3,2-g]quinoline-4,9-dione
SMILESO=C(c1ccccc1)c1cc2c(o1)C(=O)c1ncccc1C2=O
InChIInChI=1S/C18H9NO4/c20-15(10-5-2-1-3-6-10)13-9-12-16(21)11-7-4-8-19-14(11)17(22)18(12)23-13/h1-9H
InChIKeyNAJYEVDOTOMRSA-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.68
Rot. Bonds2

About 2-benzoylfuro[3,2-g]quinoline-4,9-dione

2-benzoylfuro[3,2-g]quinoline-4,9-dione (PubChem CID 142308028) has the molecular formula C18H9NO4 and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-benzoylfuro[3,2-g]quinoline-4,9-dione.

Molecular Properties

Compound Name2-benzoylfuro[3,2-g]quinoline-4,9-dione
PubChem CID142308028
Molecular FormulaC18H9NO4
Molecular Weight303.27 g/mol
Exact Mass303.05
IUPAC Name2-benzoylfuro[3,2-g]quinoline-4,9-dione
SMILESO=C(c1ccccc1)c1cc2c(o1)C(=O)c1ncccc1C2=O
InChIInChI=1S/C18H9NO4/c20-15(10-5-2-1-3-6-10)13-9-12-16(21)11-7-4-8-19-14(11)17(22)18(12)23-13/h1-9H
InChIKeyNAJYEVDOTOMRSA-UHFFFAOYSA-N
XLogP2.68
TPSA77.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.68
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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Related Compounds

4,9-dioxofuro[3,2-g]quinoline-2-carbaldehyde
CID 142308030
4,9-dioxobenzo[f][1]benzofuran-2-carboxylic acid
CID 58260130
(4,5-diphenylfuran-2-yl)-phenylmethanone
CID 134830514
2-benzoylphenaleno[2,3-b]pyridin-7-one
CID 154370739
2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid
CID 121472574
ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate
CID 14895315
4,7-phenanthroline-5,6-dione
CID 6764
6-(3-benzoylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 714778
sodium;hydride;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid
CID 162207087
[3-(4,9-dioxobenzo[f][1]benzofuran-2-yl)-3-oxopropanoyl]oxymethyl benzoate
CID 118584439
(5-benzoylfuran-2-yl)-phenylmethanone
CID 22336637
5-phenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one
CID 177439145

Frequently Asked Questions

What is the IUPAC name of 2-benzoylfuro[3,2-g]quinoline-4,9-dione?
The IUPAC name of 2-benzoylfuro[3,2-g]quinoline-4,9-dione (CID 142308028) is 2-benzoylfuro[3,2-g]quinoline-4,9-dione.
What is the SMILES notation for 2-benzoylfuro[3,2-g]quinoline-4,9-dione?
The canonical SMILES for 2-benzoylfuro[3,2-g]quinoline-4,9-dione is O=C(c1ccccc1)c1cc2c(o1)C(=O)c1ncccc1C2=O.
What is the InChIKey of 2-benzoylfuro[3,2-g]quinoline-4,9-dione?
The InChIKey is NAJYEVDOTOMRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9NO4/c20-15(10-5-2-1-3-6-10)13-9-12-16(21)11-7-4-8-19-14(11)17(22)18(12)23-13/h1-9H.
What are the key properties of 2-benzoylfuro[3,2-g]quinoline-4,9-dione?
2-benzoylfuro[3,2-g]quinoline-4,9-dione has a molecular weight of 303.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoylfuro[3,2-g]quinoline-4,9-dione is sourced from PubChem (CID 142308028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).