4,9-dioxofuro[3,2-g]quinoline-2-carbaldehyde

C12H5NO4 — CID 142308030

IUPAC4,9-dioxofuro[3,2-g]quinoline-2-carbaldehyde
SMILESO=Cc1cc2c(o1)C(=O)c1ncccc1C2=O
InChIInChI=1S/C12H5NO4/c14-5-6-4-8-10(15)7-2-1-3-13-9(7)11(16)12(8)17-6/h1-5H
InChIKeyYXAHXBUQSGESGE-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.26
Rot. Bonds1

About 4,9-dioxofuro[3,2-g]quinoline-2-carbaldehyde

4,9-dioxofuro[3,2-g]quinoline-2-carbaldehyde (PubChem CID 142308030) has the molecular formula C12H5NO4 and a molecular weight of 227.18 g/mol. Its IUPAC name is 4,9-dioxofuro[3,2-g]quinoline-2-carbaldehyde.

Molecular Properties

Compound Name4,9-dioxofuro[3,2-g]quinoline-2-carbaldehyde
PubChem CID142308030
Molecular FormulaC12H5NO4
Molecular Weight227.18 g/mol
Exact Mass227.02
IUPAC Name4,9-dioxofuro[3,2-g]quinoline-2-carbaldehyde
SMILESO=Cc1cc2c(o1)C(=O)c1ncccc1C2=O
InChIInChI=1S/C12H5NO4/c14-5-6-4-8-10(15)7-2-1-3-13-9(7)11(16)12(8)17-6/h1-5H
InChIKeyYXAHXBUQSGESGE-UHFFFAOYSA-N
XLogP1.26
TPSA77.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-benzoylfuro[3,2-g]quinoline-4,9-dione
CID 142308028
4,7-phenanthroline-5,6-dione
CID 6764
furo[3,2-b]pyridine-2-carbaldehyde
CID 642127
2-methyl-[1,3]oxazolo[4,5-f]quinoline-4,5-dione
CID 118219007
3-[(dimethylamino)methyl]pyrido[3,2-g]quinoline-5,10-dione
CID 10880058
(E)-3-(4,9-dioxobenzo[f][1]benzofuran-2-yl)prop-2-enoic acid
CID 66561261
3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione
CID 11141199
phenanthro[9,10-g]quinoline-9,14-dione
CID 71437214
5H-indeno[1,2-b]pyridine;indeno[1,2-b]pyridin-5-one
CID 160581991
5-phenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one
CID 177439145
5-(3-fluoro-2-pyridinyl)furan-2-carbaldehyde
CID 75524954
2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid
CID 121472574

Frequently Asked Questions

What is the IUPAC name of 4,9-dioxofuro[3,2-g]quinoline-2-carbaldehyde?
The IUPAC name of 4,9-dioxofuro[3,2-g]quinoline-2-carbaldehyde (CID 142308030) is 4,9-dioxofuro[3,2-g]quinoline-2-carbaldehyde.
What is the SMILES notation for 4,9-dioxofuro[3,2-g]quinoline-2-carbaldehyde?
The canonical SMILES for 4,9-dioxofuro[3,2-g]quinoline-2-carbaldehyde is O=Cc1cc2c(o1)C(=O)c1ncccc1C2=O.
What is the InChIKey of 4,9-dioxofuro[3,2-g]quinoline-2-carbaldehyde?
The InChIKey is YXAHXBUQSGESGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5NO4/c14-5-6-4-8-10(15)7-2-1-3-13-9(7)11(16)12(8)17-6/h1-5H.
What are the key properties of 4,9-dioxofuro[3,2-g]quinoline-2-carbaldehyde?
4,9-dioxofuro[3,2-g]quinoline-2-carbaldehyde has a molecular weight of 227.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dioxofuro[3,2-g]quinoline-2-carbaldehyde is sourced from PubChem (CID 142308030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).