5-(furan-2-carbonyl)quinoline-3-carbaldehyde

C15H9NO3 — CID 71406802

IUPAC5-(furan-2-carbonyl)quinoline-3-carbaldehyde
SMILESO=Cc1cnc2cccc(C(=O)c3ccco3)c2c1
InChIInChI=1S/C15H9NO3/c17-9-10-7-12-11(3-1-4-13(12)16-8-10)15(18)14-5-2-6-19-14/h1-9H
InChIKeyJYMYLEVOHJAVED-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.87
Rot. Bonds3

About 5-(furan-2-carbonyl)quinoline-3-carbaldehyde

5-(furan-2-carbonyl)quinoline-3-carbaldehyde (PubChem CID 71406802) has the molecular formula C15H9NO3 and a molecular weight of 251.24 g/mol. Its IUPAC name is 5-(furan-2-carbonyl)quinoline-3-carbaldehyde.

Molecular Properties

Compound Name5-(furan-2-carbonyl)quinoline-3-carbaldehyde
PubChem CID71406802
Molecular FormulaC15H9NO3
Molecular Weight251.24 g/mol
Exact Mass251.06
IUPAC Name5-(furan-2-carbonyl)quinoline-3-carbaldehyde
SMILESO=Cc1cnc2cccc(C(=O)c3ccco3)c2c1
InChIInChI=1S/C15H9NO3/c17-9-10-7-12-11(3-1-4-13(12)16-8-10)15(18)14-5-2-6-19-14/h1-9H
InChIKeyJYMYLEVOHJAVED-UHFFFAOYSA-N
XLogP2.87
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-carbonyl)quinoline-3-carbaldehyde?
The IUPAC name of 5-(furan-2-carbonyl)quinoline-3-carbaldehyde (CID 71406802) is 5-(furan-2-carbonyl)quinoline-3-carbaldehyde.
What is the SMILES notation for 5-(furan-2-carbonyl)quinoline-3-carbaldehyde?
The canonical SMILES for 5-(furan-2-carbonyl)quinoline-3-carbaldehyde is O=Cc1cnc2cccc(C(=O)c3ccco3)c2c1.
What is the InChIKey of 5-(furan-2-carbonyl)quinoline-3-carbaldehyde?
The InChIKey is JYMYLEVOHJAVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO3/c17-9-10-7-12-11(3-1-4-13(12)16-8-10)15(18)14-5-2-6-19-14/h1-9H.
What are the key properties of 5-(furan-2-carbonyl)quinoline-3-carbaldehyde?
5-(furan-2-carbonyl)quinoline-3-carbaldehyde has a molecular weight of 251.24 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-carbonyl)quinoline-3-carbaldehyde is sourced from PubChem (CID 71406802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).