7-chloroquinoline-3,8-dicarboxylic acid

C11H6ClNO4 — CID 13309794

IUPAC7-chloroquinoline-3,8-dicarboxylic acid
SMILESO=C(O)c1cnc2c(C(=O)O)c(Cl)ccc2c1
InChIInChI=1S/C11H6ClNO4/c12-7-2-1-5-3-6(10(14)15)4-13-9(5)8(7)11(16)17/h1-4H,(H,14,15)(H,16,17)
InChIKeyZYIDIAPHYHJMCU-UHFFFAOYSA-N
MW251.62 g/mol
LogP2.28
Rot. Bonds2

About 7-chloroquinoline-3,8-dicarboxylic acid

7-chloroquinoline-3,8-dicarboxylic acid (PubChem CID 13309794) has the molecular formula C11H6ClNO4 and a molecular weight of 251.62 g/mol. Its IUPAC name is 7-chloroquinoline-3,8-dicarboxylic acid.

Molecular Properties

Compound Name7-chloroquinoline-3,8-dicarboxylic acid
PubChem CID13309794
Molecular FormulaC11H6ClNO4
Molecular Weight251.62 g/mol
Exact Mass251.00
IUPAC Name7-chloroquinoline-3,8-dicarboxylic acid
SMILESO=C(O)c1cnc2c(C(=O)O)c(Cl)ccc2c1
InChIInChI=1S/C11H6ClNO4/c12-7-2-1-5-3-6(10(14)15)4-13-9(5)8(7)11(16)17/h1-4H,(H,14,15)(H,16,17)
InChIKeyZYIDIAPHYHJMCU-UHFFFAOYSA-N
XLogP2.28
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.62
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloroquinoline-3,8-dicarboxylic acid?
The IUPAC name of 7-chloroquinoline-3,8-dicarboxylic acid (CID 13309794) is 7-chloroquinoline-3,8-dicarboxylic acid.
What is the SMILES notation for 7-chloroquinoline-3,8-dicarboxylic acid?
The canonical SMILES for 7-chloroquinoline-3,8-dicarboxylic acid is O=C(O)c1cnc2c(C(=O)O)c(Cl)ccc2c1.
What is the InChIKey of 7-chloroquinoline-3,8-dicarboxylic acid?
The InChIKey is ZYIDIAPHYHJMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClNO4/c12-7-2-1-5-3-6(10(14)15)4-13-9(5)8(7)11(16)17/h1-4H,(H,14,15)(H,16,17).
What are the key properties of 7-chloroquinoline-3,8-dicarboxylic acid?
7-chloroquinoline-3,8-dicarboxylic acid has a molecular weight of 251.62 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloroquinoline-3,8-dicarboxylic acid is sourced from PubChem (CID 13309794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).