1-ethyl-4-oxo-6-prop-2-enoxyquinoline-2-carboxylic acid

C15H15NO4 — CID 2801572

IUPAC1-ethyl-4-oxo-6-prop-2-enoxyquinoline-2-carboxylic acid
SMILESC=CCOc1ccc2c(c1)c(=O)cc(C(=O)O)n2CC
InChIInChI=1S/C15H15NO4/c1-3-7-20-10-5-6-12-11(8-10)14(17)9-13(15(18)19)16(12)4-2/h3,5-6,8-9H,1,4,7H2,2H3,(H,18,19)
InChIKeyWFBUDHFYCAROCH-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.28
Rot. Bonds5

About 1-ethyl-4-oxo-6-prop-2-enoxyquinoline-2-carboxylic acid

1-ethyl-4-oxo-6-prop-2-enoxyquinoline-2-carboxylic acid (PubChem CID 2801572) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-ethyl-4-oxo-6-prop-2-enoxyquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-oxo-6-prop-2-enoxyquinoline-2-carboxylic acid
PubChem CID2801572
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name1-ethyl-4-oxo-6-prop-2-enoxyquinoline-2-carboxylic acid
SMILESC=CCOc1ccc2c(c1)c(=O)cc(C(=O)O)n2CC
InChIInChI=1S/C15H15NO4/c1-3-7-20-10-5-6-12-11(8-10)14(17)9-13(15(18)19)16(12)4-2/h3,5-6,8-9H,1,4,7H2,2H3,(H,18,19)
InChIKeyWFBUDHFYCAROCH-UHFFFAOYSA-N
XLogP2.28
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-oxo-6-prop-2-enoxyquinoline-2-carboxylic acid?
The IUPAC name of 1-ethyl-4-oxo-6-prop-2-enoxyquinoline-2-carboxylic acid (CID 2801572) is 1-ethyl-4-oxo-6-prop-2-enoxyquinoline-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-oxo-6-prop-2-enoxyquinoline-2-carboxylic acid?
The canonical SMILES for 1-ethyl-4-oxo-6-prop-2-enoxyquinoline-2-carboxylic acid is C=CCOc1ccc2c(c1)c(=O)cc(C(=O)O)n2CC.
What is the InChIKey of 1-ethyl-4-oxo-6-prop-2-enoxyquinoline-2-carboxylic acid?
The InChIKey is WFBUDHFYCAROCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-3-7-20-10-5-6-12-11(8-10)14(17)9-13(15(18)19)16(12)4-2/h3,5-6,8-9H,1,4,7H2,2H3,(H,18,19).
What are the key properties of 1-ethyl-4-oxo-6-prop-2-enoxyquinoline-2-carboxylic acid?
1-ethyl-4-oxo-6-prop-2-enoxyquinoline-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-oxo-6-prop-2-enoxyquinoline-2-carboxylic acid is sourced from PubChem (CID 2801572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).