9-oxo-2,6-dihydro-1H-furo[3,2-f]quinoline-8-carboxylic acid

C12H9NO4 — CID 172700001

IUPAC9-oxo-2,6-dihydro-1H-furo[3,2-f]quinoline-8-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc3c(c2c1=O)CCO3
InChIInChI=1S/C12H9NO4/c14-11-7(12(15)16)5-13-8-1-2-9-6(10(8)11)3-4-17-9/h1-2,5H,3-4H2,(H,13,14)(H,15,16)
InChIKeyCVIJSZHAJAJGDN-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.16
Rot. Bonds1

About 9-oxo-2,6-dihydro-1H-furo[3,2-f]quinoline-8-carboxylic acid

9-oxo-2,6-dihydro-1H-furo[3,2-f]quinoline-8-carboxylic acid (PubChem CID 172700001) has the molecular formula C12H9NO4 and a molecular weight of 231.21 g/mol. Its IUPAC name is 9-oxo-2,6-dihydro-1H-furo[3,2-f]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name9-oxo-2,6-dihydro-1H-furo[3,2-f]quinoline-8-carboxylic acid
PubChem CID172700001
Molecular FormulaC12H9NO4
Molecular Weight231.21 g/mol
Exact Mass231.05
IUPAC Name9-oxo-2,6-dihydro-1H-furo[3,2-f]quinoline-8-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc3c(c2c1=O)CCO3
InChIInChI=1S/C12H9NO4/c14-11-7(12(15)16)5-13-8-1-2-9-6(10(8)11)3-4-17-9/h1-2,5H,3-4H2,(H,13,14)(H,15,16)
InChIKeyCVIJSZHAJAJGDN-UHFFFAOYSA-N
XLogP1.16
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,7-dihydro-2H-[1,4]dioxino[2,3-e]indole-9-carboxylic acid;ethane
CID 144996582
2,6-dihydro-1H-furo[3,2-e]indol-8-amine
CID 82411466
1,1,9-trioxo-3,6-dihydro-2H-thieno[2,3-f]quinoline-8-carboxylic acid
CID 16638480
9-oxo-6H-thieno[2,3-f]quinoline-8-carboxylic acid
CID 58678000
4-oxo-1,5-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 53412873
6-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indole-3-carboxylic acid
CID 129225366
7-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid
CID 11008836
4-amino-5-bromo-1H-indole-3-carboxylic acid
CID 83671342
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
6-bromo-5,7-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 107577353
8,9-dihydro-1H-furo[2,3-h]quinazoline-2,4-dione
CID 170552158
3-(7,8-dihydrofuro[3,2-e][1]benzofuran-1-yl)propanoic acid
CID 163510988

Frequently Asked Questions

What is the IUPAC name of 9-oxo-2,6-dihydro-1H-furo[3,2-f]quinoline-8-carboxylic acid?
The IUPAC name of 9-oxo-2,6-dihydro-1H-furo[3,2-f]quinoline-8-carboxylic acid (CID 172700001) is 9-oxo-2,6-dihydro-1H-furo[3,2-f]quinoline-8-carboxylic acid.
What is the SMILES notation for 9-oxo-2,6-dihydro-1H-furo[3,2-f]quinoline-8-carboxylic acid?
The canonical SMILES for 9-oxo-2,6-dihydro-1H-furo[3,2-f]quinoline-8-carboxylic acid is O=C(O)c1c[nH]c2ccc3c(c2c1=O)CCO3.
What is the InChIKey of 9-oxo-2,6-dihydro-1H-furo[3,2-f]quinoline-8-carboxylic acid?
The InChIKey is CVIJSZHAJAJGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4/c14-11-7(12(15)16)5-13-8-1-2-9-6(10(8)11)3-4-17-9/h1-2,5H,3-4H2,(H,13,14)(H,15,16).
What are the key properties of 9-oxo-2,6-dihydro-1H-furo[3,2-f]quinoline-8-carboxylic acid?
9-oxo-2,6-dihydro-1H-furo[3,2-f]quinoline-8-carboxylic acid has a molecular weight of 231.21 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-2,6-dihydro-1H-furo[3,2-f]quinoline-8-carboxylic acid is sourced from PubChem (CID 172700001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).