4-oxo-2,3-dihydro-1H-quinoline-6-carbaldehyde

C10H9NO2 — CID 82411274

IUPAC4-oxo-2,3-dihydro-1H-quinoline-6-carbaldehyde
SMILESO=Cc1ccc2c(c1)C(=O)CCN2
InChIInChI=1S/C10H9NO2/c12-6-7-1-2-9-8(5-7)10(13)3-4-11-9/h1-2,5-6,11H,3-4H2
InChIKeyVBGBFYODGNHFDN-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.50
Rot. Bonds1

About 4-oxo-2,3-dihydro-1H-quinoline-6-carbaldehyde

4-oxo-2,3-dihydro-1H-quinoline-6-carbaldehyde (PubChem CID 82411274) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-oxo-2,3-dihydro-1H-quinoline-6-carbaldehyde.

Molecular Properties

Compound Name4-oxo-2,3-dihydro-1H-quinoline-6-carbaldehyde
PubChem CID82411274
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name4-oxo-2,3-dihydro-1H-quinoline-6-carbaldehyde
SMILESO=Cc1ccc2c(c1)C(=O)CCN2
InChIInChI=1S/C10H9NO2/c12-6-7-1-2-9-8(5-7)10(13)3-4-11-9/h1-2,5-6,11H,3-4H2
InChIKeyVBGBFYODGNHFDN-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2,3-dihydro-1H-quinoline-6-carbaldehyde?
The IUPAC name of 4-oxo-2,3-dihydro-1H-quinoline-6-carbaldehyde (CID 82411274) is 4-oxo-2,3-dihydro-1H-quinoline-6-carbaldehyde.
What is the SMILES notation for 4-oxo-2,3-dihydro-1H-quinoline-6-carbaldehyde?
The canonical SMILES for 4-oxo-2,3-dihydro-1H-quinoline-6-carbaldehyde is O=Cc1ccc2c(c1)C(=O)CCN2.
What is the InChIKey of 4-oxo-2,3-dihydro-1H-quinoline-6-carbaldehyde?
The InChIKey is VBGBFYODGNHFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-6-7-1-2-9-8(5-7)10(13)3-4-11-9/h1-2,5-6,11H,3-4H2.
What are the key properties of 4-oxo-2,3-dihydro-1H-quinoline-6-carbaldehyde?
4-oxo-2,3-dihydro-1H-quinoline-6-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2,3-dihydro-1H-quinoline-6-carbaldehyde is sourced from PubChem (CID 82411274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).