3-ethenyl-2-(1-hydroxyethenyl)quinoline-4-carbaldehyde

C14H11NO2 — CID 142879408

IUPAC3-ethenyl-2-(1-hydroxyethenyl)quinoline-4-carbaldehyde
SMILESC=Cc1c(C(=C)O)nc2ccccc2c1C=O
InChIInChI=1S/C14H11NO2/c1-3-10-12(8-16)11-6-4-5-7-13(11)15-14(10)9(2)17/h3-8,17H,1-2H2
InChIKeyMZKKCBJVSKRJHI-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.22
Rot. Bonds3

About 3-ethenyl-2-(1-hydroxyethenyl)quinoline-4-carbaldehyde

3-ethenyl-2-(1-hydroxyethenyl)quinoline-4-carbaldehyde (PubChem CID 142879408) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-ethenyl-2-(1-hydroxyethenyl)quinoline-4-carbaldehyde.

Molecular Properties

Compound Name3-ethenyl-2-(1-hydroxyethenyl)quinoline-4-carbaldehyde
PubChem CID142879408
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name3-ethenyl-2-(1-hydroxyethenyl)quinoline-4-carbaldehyde
SMILESC=Cc1c(C(=C)O)nc2ccccc2c1C=O
InChIInChI=1S/C14H11NO2/c1-3-10-12(8-16)11-6-4-5-7-13(11)15-14(10)9(2)17/h3-8,17H,1-2H2
InChIKeyMZKKCBJVSKRJHI-UHFFFAOYSA-N
XLogP3.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-(1-hydroxyethenyl)quinoline-4-carbaldehyde?
The IUPAC name of 3-ethenyl-2-(1-hydroxyethenyl)quinoline-4-carbaldehyde (CID 142879408) is 3-ethenyl-2-(1-hydroxyethenyl)quinoline-4-carbaldehyde.
What is the SMILES notation for 3-ethenyl-2-(1-hydroxyethenyl)quinoline-4-carbaldehyde?
The canonical SMILES for 3-ethenyl-2-(1-hydroxyethenyl)quinoline-4-carbaldehyde is C=Cc1c(C(=C)O)nc2ccccc2c1C=O.
What is the InChIKey of 3-ethenyl-2-(1-hydroxyethenyl)quinoline-4-carbaldehyde?
The InChIKey is MZKKCBJVSKRJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-3-10-12(8-16)11-6-4-5-7-13(11)15-14(10)9(2)17/h3-8,17H,1-2H2.
What are the key properties of 3-ethenyl-2-(1-hydroxyethenyl)quinoline-4-carbaldehyde?
3-ethenyl-2-(1-hydroxyethenyl)quinoline-4-carbaldehyde has a molecular weight of 225.25 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-(1-hydroxyethenyl)quinoline-4-carbaldehyde is sourced from PubChem (CID 142879408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).