7-ethoxy-2-oxo-1H-quinoline-3-carbaldehyde

C12H11NO3 — CID 765517

IUPAC7-ethoxy-2-oxo-1H-quinoline-3-carbaldehyde
SMILESCCOc1ccc2cc(C=O)c(=O)[nH]c2c1
InChIInChI=1S/C12H11NO3/c1-2-16-10-4-3-8-5-9(7-14)12(15)13-11(8)6-10/h3-7H,2H2,1H3,(H,13,15)
InChIKeyCYTKPGMPOSVASD-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.74
Rot. Bonds3

About 7-ethoxy-2-oxo-1H-quinoline-3-carbaldehyde

7-ethoxy-2-oxo-1H-quinoline-3-carbaldehyde (PubChem CID 765517) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 7-ethoxy-2-oxo-1H-quinoline-3-carbaldehyde.

Molecular Properties

Compound Name7-ethoxy-2-oxo-1H-quinoline-3-carbaldehyde
PubChem CID765517
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name7-ethoxy-2-oxo-1H-quinoline-3-carbaldehyde
SMILESCCOc1ccc2cc(C=O)c(=O)[nH]c2c1
InChIInChI=1S/C12H11NO3/c1-2-16-10-4-3-8-5-9(7-14)12(15)13-11(8)6-10/h3-7H,2H2,1H3,(H,13,15)
InChIKeyCYTKPGMPOSVASD-UHFFFAOYSA-N
XLogP1.74
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-ethoxy-2-oxo-1H-quinoline-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2-oxo-1H-quinoline-3-carbaldehyde?
The IUPAC name of 7-ethoxy-2-oxo-1H-quinoline-3-carbaldehyde (CID 765517) is 7-ethoxy-2-oxo-1H-quinoline-3-carbaldehyde.
What is the SMILES notation for 7-ethoxy-2-oxo-1H-quinoline-3-carbaldehyde?
The canonical SMILES for 7-ethoxy-2-oxo-1H-quinoline-3-carbaldehyde is CCOc1ccc2cc(C=O)c(=O)[nH]c2c1.
What is the InChIKey of 7-ethoxy-2-oxo-1H-quinoline-3-carbaldehyde?
The InChIKey is CYTKPGMPOSVASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-16-10-4-3-8-5-9(7-14)12(15)13-11(8)6-10/h3-7H,2H2,1H3,(H,13,15).
What are the key properties of 7-ethoxy-2-oxo-1H-quinoline-3-carbaldehyde?
7-ethoxy-2-oxo-1H-quinoline-3-carbaldehyde has a molecular weight of 217.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2-oxo-1H-quinoline-3-carbaldehyde is sourced from PubChem (CID 765517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).