2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid

C10H11NO3 — CID 647149

IUPAC2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C10H11NO3/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9/h5H,1-4H2,(H,11,12)(H,13,14)
InChIKeyAUVZLBBKIYHBIO-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.95
Rot. Bonds1

About 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid

2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid (PubChem CID 647149) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid
PubChem CID647149
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C10H11NO3/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9/h5H,1-4H2,(H,11,12)(H,13,14)
InChIKeyAUVZLBBKIYHBIO-UHFFFAOYSA-N
XLogP0.95
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid?
The IUPAC name of 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid (CID 647149) is 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid is O=C(O)c1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid?
The InChIKey is AUVZLBBKIYHBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9/h5H,1-4H2,(H,11,12)(H,13,14).
What are the key properties of 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid?
2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 647149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).