4-hydroxy-5-methoxy-2-oxo-1H-quinoline-3-carboxylic acid

C11H9NO5 — CID 68862785

IUPAC4-hydroxy-5-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1cccc2[nH]c(=O)c(C(=O)O)c(O)c12
InChIInChI=1S/C11H9NO5/c1-17-6-4-2-3-5-7(6)9(13)8(11(15)16)10(14)12-5/h2-4H,1H3,(H,15,16)(H2,12,13,14)
InChIKeyRIPUIMNKIFXCFK-UHFFFAOYSA-N
MW235.19 g/mol
LogP0.94
Rot. Bonds2

About 4-hydroxy-5-methoxy-2-oxo-1H-quinoline-3-carboxylic acid

4-hydroxy-5-methoxy-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 68862785) has the molecular formula C11H9NO5 and a molecular weight of 235.19 g/mol. Its IUPAC name is 4-hydroxy-5-methoxy-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-5-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID68862785
Molecular FormulaC11H9NO5
Molecular Weight235.19 g/mol
Exact Mass235.05
IUPAC Name4-hydroxy-5-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1cccc2[nH]c(=O)c(C(=O)O)c(O)c12
InChIInChI=1S/C11H9NO5/c1-17-6-4-2-3-5-7(6)9(13)8(11(15)16)10(14)12-5/h2-4H,1H3,(H,15,16)(H2,12,13,14)
InChIKeyRIPUIMNKIFXCFK-UHFFFAOYSA-N
XLogP0.94
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 4-hydroxy-5-methoxy-2-oxo-1H-quinoline-3-carboxylic acid (CID 68862785) is 4-hydroxy-5-methoxy-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-5-methoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-5-methoxy-2-oxo-1H-quinoline-3-carboxylic acid is COc1cccc2[nH]c(=O)c(C(=O)O)c(O)c12.
What is the InChIKey of 4-hydroxy-5-methoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is RIPUIMNKIFXCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5/c1-17-6-4-2-3-5-7(6)9(13)8(11(15)16)10(14)12-5/h2-4H,1H3,(H,15,16)(H2,12,13,14).
What are the key properties of 4-hydroxy-5-methoxy-2-oxo-1H-quinoline-3-carboxylic acid?
4-hydroxy-5-methoxy-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 235.19 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methoxy-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 68862785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).