2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde

C10H9NO2 — CID 59398039

IUPAC2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde
SMILESO=Cc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C10H9NO2/c12-6-7-1-2-8-3-4-10(13)11-9(8)5-7/h1-2,5-6H,3-4H2,(H,11,13)
InChIKeyJYLQHODYNBTGNN-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.38
Rot. Bonds1

About 2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde

2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde (PubChem CID 59398039) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde.

Molecular Properties

Compound Name2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde
PubChem CID59398039
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde
SMILESO=Cc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C10H9NO2/c12-6-7-1-2-8-3-4-10(13)11-9(8)5-7/h1-2,5-6H,3-4H2,(H,11,13)
InChIKeyJYLQHODYNBTGNN-UHFFFAOYSA-N
XLogP1.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde?
The IUPAC name of 2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde (CID 59398039) is 2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde.
What is the SMILES notation for 2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde?
The canonical SMILES for 2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde is O=Cc1ccc2c(c1)NC(=O)CC2.
What is the InChIKey of 2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde?
The InChIKey is JYLQHODYNBTGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-6-7-1-2-8-3-4-10(13)11-9(8)5-7/h1-2,5-6H,3-4H2,(H,11,13).
What are the key properties of 2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde?
2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde is sourced from PubChem (CID 59398039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).