2-acetyl-7-methoxyfuro[2,3-g]quinoline-4,9-dione

C14H9NO5 — CID 142308043

IUPAC2-acetyl-7-methoxyfuro[2,3-g]quinoline-4,9-dione
SMILESCOc1cnc2c(c1)C(=O)c1oc(C(C)=O)cc1C2=O
InChIInChI=1S/C14H9NO5/c1-6(16)10-4-9-12(17)11-8(13(18)14(9)20-10)3-7(19-2)5-15-11/h3-5H,1-2H3
InChIKeyHZKCMZYFTVDVRZ-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.66
Rot. Bonds2

About 2-acetyl-7-methoxyfuro[2,3-g]quinoline-4,9-dione

2-acetyl-7-methoxyfuro[2,3-g]quinoline-4,9-dione (PubChem CID 142308043) has the molecular formula C14H9NO5 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2-acetyl-7-methoxyfuro[2,3-g]quinoline-4,9-dione.

Molecular Properties

Compound Name2-acetyl-7-methoxyfuro[2,3-g]quinoline-4,9-dione
PubChem CID142308043
Molecular FormulaC14H9NO5
Molecular Weight271.23 g/mol
Exact Mass271.05
IUPAC Name2-acetyl-7-methoxyfuro[2,3-g]quinoline-4,9-dione
SMILESCOc1cnc2c(c1)C(=O)c1oc(C(C)=O)cc1C2=O
InChIInChI=1S/C14H9NO5/c1-6(16)10-4-9-12(17)11-8(13(18)14(9)20-10)3-7(19-2)5-15-11/h3-5H,1-2H3
InChIKeyHZKCMZYFTVDVRZ-UHFFFAOYSA-N
XLogP1.66
TPSA86.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-acetyl-6-(methoxymethoxy)benzo[g][1]benzofuran-4,5-dione
CID 177435085
2-acetyl-7-chloro-5-hydroxybenzo[f][1]benzofuran-4,9-dione
CID 134544093
2-acetylbenzo[f][1]benzofuran-4,9-dione;2-acetyl-3-(bromomethyl)benzo[f][1]benzofuran-4,9-dione
CID 159036694
2-acetyl-7-methoxyfuro[2,3-c]pyridine-4-carboxylic acid
CID 22112799
1-(3-methoxyquinolin-5-yl)ethanone
CID 67065394
3,8-dimethoxy-1,10-phenanthroline
CID 11390810
1-[5-[(3-methoxyphenyl)methyl]-1,2-oxazol-4-yl]ethanone
CID 115093716
tert-butyl 3-(4,9-dioxobenzo[f][1]benzofuran-2-yl)-3-oxopropanoate
CID 129022524
1-(6-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
CID 123135094
4-(5-methoxy-3-pyridinyl)butan-2-one
CID 69229885
methyl 2-[(6R,8R)-3-hydroxy-6-methyl-5,10-dioxo-8,9-dihydro-6H-pyrano[3,4-g]quinolin-8-yl]acetate
CID 10639170
(5-acetyl-2-methylfuran-3-yl) acetate
CID 174700084

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-7-methoxyfuro[2,3-g]quinoline-4,9-dione?
The IUPAC name of 2-acetyl-7-methoxyfuro[2,3-g]quinoline-4,9-dione (CID 142308043) is 2-acetyl-7-methoxyfuro[2,3-g]quinoline-4,9-dione.
What is the SMILES notation for 2-acetyl-7-methoxyfuro[2,3-g]quinoline-4,9-dione?
The canonical SMILES for 2-acetyl-7-methoxyfuro[2,3-g]quinoline-4,9-dione is COc1cnc2c(c1)C(=O)c1oc(C(C)=O)cc1C2=O.
What is the InChIKey of 2-acetyl-7-methoxyfuro[2,3-g]quinoline-4,9-dione?
The InChIKey is HZKCMZYFTVDVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO5/c1-6(16)10-4-9-12(17)11-8(13(18)14(9)20-10)3-7(19-2)5-15-11/h3-5H,1-2H3.
What are the key properties of 2-acetyl-7-methoxyfuro[2,3-g]quinoline-4,9-dione?
2-acetyl-7-methoxyfuro[2,3-g]quinoline-4,9-dione has a molecular weight of 271.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-7-methoxyfuro[2,3-g]quinoline-4,9-dione is sourced from PubChem (CID 142308043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).