5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid

C12H11NO3 — CID 14842717

IUPAC5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid
SMILESCCc1cccc2[nH]c(C(=O)O)cc(=O)c12
InChIInChI=1S/C12H11NO3/c1-2-7-4-3-5-8-11(7)10(14)6-9(13-8)12(15)16/h3-6H,2H2,1H3,(H,13,14)(H,15,16)
InChIKeyNXYAPTZXTORQRS-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.79
Rot. Bonds2

About 5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid

5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid (PubChem CID 14842717) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid
PubChem CID14842717
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid
SMILESCCc1cccc2[nH]c(C(=O)O)cc(=O)c12
InChIInChI=1S/C12H11NO3/c1-2-7-4-3-5-8-11(7)10(14)6-9(13-8)12(15)16/h3-6H,2H2,1H3,(H,13,14)(H,15,16)
InChIKeyNXYAPTZXTORQRS-UHFFFAOYSA-N
XLogP1.79
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid?
The IUPAC name of 5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid (CID 14842717) is 5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid is CCc1cccc2[nH]c(C(=O)O)cc(=O)c12.
What is the InChIKey of 5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid?
The InChIKey is NXYAPTZXTORQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-7-4-3-5-8-11(7)10(14)6-9(13-8)12(15)16/h3-6H,2H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid?
5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-oxo-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 14842717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).