2-oxo-1H-quinoline-6-carbaldehyde

C10H7NO2 — CID 11816137

IUPAC2-oxo-1H-quinoline-6-carbaldehyde
SMILESO=Cc1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C10H7NO2/c12-6-7-1-3-9-8(5-7)2-4-10(13)11-9/h1-6H,(H,11,13)
InChIKeyAAPOPNBYYIWIAX-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.34
Rot. Bonds1

About 2-oxo-1H-quinoline-6-carbaldehyde

2-oxo-1H-quinoline-6-carbaldehyde (PubChem CID 11816137) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-oxo-1H-quinoline-6-carbaldehyde.

Molecular Properties

Compound Name2-oxo-1H-quinoline-6-carbaldehyde
PubChem CID11816137
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name2-oxo-1H-quinoline-6-carbaldehyde
SMILESO=Cc1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C10H7NO2/c12-6-7-1-3-9-8(5-7)2-4-10(13)11-9/h1-6H,(H,11,13)
InChIKeyAAPOPNBYYIWIAX-UHFFFAOYSA-N
XLogP1.34
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.34
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-1H-quinoline-6-carbaldehyde?
The IUPAC name of 2-oxo-1H-quinoline-6-carbaldehyde (CID 11816137) is 2-oxo-1H-quinoline-6-carbaldehyde.
What is the SMILES notation for 2-oxo-1H-quinoline-6-carbaldehyde?
The canonical SMILES for 2-oxo-1H-quinoline-6-carbaldehyde is O=Cc1ccc2[nH]c(=O)ccc2c1.
What is the InChIKey of 2-oxo-1H-quinoline-6-carbaldehyde?
The InChIKey is AAPOPNBYYIWIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c12-6-7-1-3-9-8(5-7)2-4-10(13)11-9/h1-6H,(H,11,13).
What are the key properties of 2-oxo-1H-quinoline-6-carbaldehyde?
2-oxo-1H-quinoline-6-carbaldehyde has a molecular weight of 173.17 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-quinoline-6-carbaldehyde is sourced from PubChem (CID 11816137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).