propyl 2-oxo-1H-quinoline-4-carboxylate

C13H13NO3 — CID 649303

IUPACpropyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCCCOC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C13H13NO3/c1-2-7-17-13(16)10-8-12(15)14-11-6-4-3-5-9(10)11/h3-6,8H,2,7H2,1H3,(H,14,15)
InChIKeyFPPDXHVBLMXLFC-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.09
Rot. Bonds3

About propyl 2-oxo-1H-quinoline-4-carboxylate

propyl 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 649303) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is propyl 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Namepropyl 2-oxo-1H-quinoline-4-carboxylate
PubChem CID649303
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Namepropyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCCCOC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C13H13NO3/c1-2-7-17-13(16)10-8-12(15)14-11-6-4-3-5-9(10)11/h3-6,8H,2,7H2,1H3,(H,14,15)
InChIKeyFPPDXHVBLMXLFC-UHFFFAOYSA-N
XLogP2.09
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of propyl 2-oxo-1H-quinoline-4-carboxylate (CID 649303) is propyl 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for propyl 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for propyl 2-oxo-1H-quinoline-4-carboxylate is CCCOC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of propyl 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is FPPDXHVBLMXLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-2-7-17-13(16)10-8-12(15)14-11-6-4-3-5-9(10)11/h3-6,8H,2,7H2,1H3,(H,14,15).
What are the key properties of propyl 2-oxo-1H-quinoline-4-carboxylate?
propyl 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 649303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).