1-hydroxy-4H-quinoline-3-carboxylic acid

C10H9NO3 — CID 140989260

IUPAC1-hydroxy-4H-quinoline-3-carboxylic acid
SMILESO=C(O)C1=CN(O)c2ccccc2C1
InChIInChI=1S/C10H9NO3/c12-10(13)8-5-7-3-1-2-4-9(7)11(14)6-8/h1-4,6,14H,5H2,(H,12,13)
InChIKeyJMTOIGZJBJLOTG-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.41
Rot. Bonds1

About 1-hydroxy-4H-quinoline-3-carboxylic acid

1-hydroxy-4H-quinoline-3-carboxylic acid (PubChem CID 140989260) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-hydroxy-4H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4H-quinoline-3-carboxylic acid
PubChem CID140989260
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name1-hydroxy-4H-quinoline-3-carboxylic acid
SMILESO=C(O)C1=CN(O)c2ccccc2C1
InChIInChI=1S/C10H9NO3/c12-10(13)8-5-7-3-1-2-4-9(7)11(14)6-8/h1-4,6,14H,5H2,(H,12,13)
InChIKeyJMTOIGZJBJLOTG-UHFFFAOYSA-N
XLogP1.41
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-pentan-3-yl-4H-quinoline-3-carboxylic acid
CID 144988875
1-(4-ethylpiperazin-1-yl)-4H-quinoline-3-carboxylic acid
CID 70354341
9H-acridine-10-carbonyl chloride
CID 165358723
2-[(2-oxo-3H-indol-1-yl)methyl]benzoic acid
CID 43473224
6-(9H-acridin-10-yl)hexanoic acid
CID 66643396
bis(oxygen(2-));phthalic acid;titanium(4+)
CID 161084506
1,2-diazatricyclo[7.3.1.05,13]trideca-2,5(13),6,8,11-pentaene-11-carboxylic acid;hydrochloride
CID 67798435
9,10-dihydroanthracene-1-carboxylic acid
CID 22643690
9H-acridin-10-ylmethanol
CID 23521289
2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 122432558
bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene
CID 91124939
2,5-dihydro-1H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid
CID 150324802

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4H-quinoline-3-carboxylic acid?
The IUPAC name of 1-hydroxy-4H-quinoline-3-carboxylic acid (CID 140989260) is 1-hydroxy-4H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-hydroxy-4H-quinoline-3-carboxylic acid is O=C(O)C1=CN(O)c2ccccc2C1.
What is the InChIKey of 1-hydroxy-4H-quinoline-3-carboxylic acid?
The InChIKey is JMTOIGZJBJLOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-10(13)8-5-7-3-1-2-4-9(7)11(14)6-8/h1-4,6,14H,5H2,(H,12,13).
What are the key properties of 1-hydroxy-4H-quinoline-3-carboxylic acid?
1-hydroxy-4H-quinoline-3-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4H-quinoline-3-carboxylic acid is sourced from PubChem (CID 140989260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).