9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid

C12H9NO5 — CID 2874795

IUPAC9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc3c(cc2c1=O)OCCO3
InChIInChI=1S/C12H9NO5/c14-11-6-3-9-10(18-2-1-17-9)4-8(6)13-5-7(11)12(15)16/h3-5H,1-2H2,(H,13,14)(H,15,16)
InChIKeyMHIFATZXRQSTSN-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.00
Rot. Bonds1

About 9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid

9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid (PubChem CID 2874795) has the molecular formula C12H9NO5 and a molecular weight of 247.21 g/mol. Its IUPAC name is 9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid
PubChem CID2874795
Molecular FormulaC12H9NO5
Molecular Weight247.21 g/mol
Exact Mass247.05
IUPAC Name9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc3c(cc2c1=O)OCCO3
InChIInChI=1S/C12H9NO5/c14-11-6-3-9-10(18-2-1-17-9)4-8(6)13-5-7(11)12(15)16/h3-5H,1-2H2,(H,13,14)(H,15,16)
InChIKeyMHIFATZXRQSTSN-UHFFFAOYSA-N
XLogP1.00
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid?
The IUPAC name of 9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid (CID 2874795) is 9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid.
What is the SMILES notation for 9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid?
The canonical SMILES for 9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid is O=C(O)c1c[nH]c2cc3c(cc2c1=O)OCCO3.
What is the InChIKey of 9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid?
The InChIKey is MHIFATZXRQSTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO5/c14-11-6-3-9-10(18-2-1-17-9)4-8(6)13-5-7(11)12(15)16/h3-5H,1-2H2,(H,13,14)(H,15,16).
What are the key properties of 9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid?
9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid has a molecular weight of 247.21 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxylic acid is sourced from PubChem (CID 2874795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).