6-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid

C10H11NO3 — CID 54367728

IUPAC6-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
SMILESO=C(O)C1CNc2ccc(O)cc2C1
InChIInChI=1S/C10H11NO3/c12-8-1-2-9-6(4-8)3-7(5-11-9)10(13)14/h1-2,4,7,11-12H,3,5H2,(H,13,14)
InChIKeyUQYKPSNOSKCFBH-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.06
Rot. Bonds1

About 6-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid

6-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid (PubChem CID 54367728) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 6-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
PubChem CID54367728
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name6-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
SMILESO=C(O)C1CNc2ccc(O)cc2C1
InChIInChI=1S/C10H11NO3/c12-8-1-2-9-6(4-8)3-7(5-11-9)10(13)14/h1-2,4,7,11-12H,3,5H2,(H,13,14)
InChIKeyUQYKPSNOSKCFBH-UHFFFAOYSA-N
XLogP1.06
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 6-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid (CID 54367728) is 6-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 6-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 6-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid is O=C(O)C1CNc2ccc(O)cc2C1.
What is the InChIKey of 6-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is UQYKPSNOSKCFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-8-1-2-9-6(4-8)3-7(5-11-9)10(13)14/h1-2,4,7,11-12H,3,5H2,(H,13,14).
What are the key properties of 6-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
6-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 54367728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).