4-oxo-2-pyridin-3-yl-1H-quinoline-6-carbaldehyde

C15H10N2O2 — CID 51003532

IUPAC4-oxo-2-pyridin-3-yl-1H-quinoline-6-carbaldehyde
SMILESO=Cc1ccc2[nH]c(-c3cccnc3)cc(=O)c2c1
InChIInChI=1S/C15H10N2O2/c18-9-10-3-4-13-12(6-10)15(19)7-14(17-13)11-2-1-5-16-8-11/h1-9H,(H,17,19)
InChIKeySOAMWAHKUJUYEU-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.40
Rot. Bonds2

About 4-oxo-2-pyridin-3-yl-1H-quinoline-6-carbaldehyde

4-oxo-2-pyridin-3-yl-1H-quinoline-6-carbaldehyde (PubChem CID 51003532) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-oxo-2-pyridin-3-yl-1H-quinoline-6-carbaldehyde.

Molecular Properties

Compound Name4-oxo-2-pyridin-3-yl-1H-quinoline-6-carbaldehyde
PubChem CID51003532
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name4-oxo-2-pyridin-3-yl-1H-quinoline-6-carbaldehyde
SMILESO=Cc1ccc2[nH]c(-c3cccnc3)cc(=O)c2c1
InChIInChI=1S/C15H10N2O2/c18-9-10-3-4-13-12(6-10)15(19)7-14(17-13)11-2-1-5-16-8-11/h1-9H,(H,17,19)
InChIKeySOAMWAHKUJUYEU-UHFFFAOYSA-N
XLogP2.40
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.40
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-pyridin-3-yl-1H-quinoline-6-carbaldehyde?
The IUPAC name of 4-oxo-2-pyridin-3-yl-1H-quinoline-6-carbaldehyde (CID 51003532) is 4-oxo-2-pyridin-3-yl-1H-quinoline-6-carbaldehyde.
What is the SMILES notation for 4-oxo-2-pyridin-3-yl-1H-quinoline-6-carbaldehyde?
The canonical SMILES for 4-oxo-2-pyridin-3-yl-1H-quinoline-6-carbaldehyde is O=Cc1ccc2[nH]c(-c3cccnc3)cc(=O)c2c1.
What is the InChIKey of 4-oxo-2-pyridin-3-yl-1H-quinoline-6-carbaldehyde?
The InChIKey is SOAMWAHKUJUYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c18-9-10-3-4-13-12(6-10)15(19)7-14(17-13)11-2-1-5-16-8-11/h1-9H,(H,17,19).
What are the key properties of 4-oxo-2-pyridin-3-yl-1H-quinoline-6-carbaldehyde?
4-oxo-2-pyridin-3-yl-1H-quinoline-6-carbaldehyde has a molecular weight of 250.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-pyridin-3-yl-1H-quinoline-6-carbaldehyde is sourced from PubChem (CID 51003532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).