2-oxo-8-propan-2-yl-1H-quinoline-6-carboxylic acid

C13H13NO3 — CID 23359067

IUPAC2-oxo-8-propan-2-yl-1H-quinoline-6-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc2ccc(=O)[nH]c12
InChIInChI=1S/C13H13NO3/c1-7(2)10-6-9(13(16)17)5-8-3-4-11(15)14-12(8)10/h3-7H,1-2H3,(H,14,15)(H,16,17)
InChIKeyCGRIHMRKMXZUGE-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.35
Rot. Bonds2

About 2-oxo-8-propan-2-yl-1H-quinoline-6-carboxylic acid

2-oxo-8-propan-2-yl-1H-quinoline-6-carboxylic acid (PubChem CID 23359067) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-oxo-8-propan-2-yl-1H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-oxo-8-propan-2-yl-1H-quinoline-6-carboxylic acid
PubChem CID23359067
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-oxo-8-propan-2-yl-1H-quinoline-6-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc2ccc(=O)[nH]c12
InChIInChI=1S/C13H13NO3/c1-7(2)10-6-9(13(16)17)5-8-3-4-11(15)14-12(8)10/h3-7H,1-2H3,(H,14,15)(H,16,17)
InChIKeyCGRIHMRKMXZUGE-UHFFFAOYSA-N
XLogP2.35
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-8-propan-2-yl-1H-quinoline-6-carboxylic acid?
The IUPAC name of 2-oxo-8-propan-2-yl-1H-quinoline-6-carboxylic acid (CID 23359067) is 2-oxo-8-propan-2-yl-1H-quinoline-6-carboxylic acid.
What is the SMILES notation for 2-oxo-8-propan-2-yl-1H-quinoline-6-carboxylic acid?
The canonical SMILES for 2-oxo-8-propan-2-yl-1H-quinoline-6-carboxylic acid is CC(C)c1cc(C(=O)O)cc2ccc(=O)[nH]c12.
What is the InChIKey of 2-oxo-8-propan-2-yl-1H-quinoline-6-carboxylic acid?
The InChIKey is CGRIHMRKMXZUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-7(2)10-6-9(13(16)17)5-8-3-4-11(15)14-12(8)10/h3-7H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-oxo-8-propan-2-yl-1H-quinoline-6-carboxylic acid?
2-oxo-8-propan-2-yl-1H-quinoline-6-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-8-propan-2-yl-1H-quinoline-6-carboxylic acid is sourced from PubChem (CID 23359067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).