4-phenylquinoline-3-carbaldehyde

C16H11NO — CID 1448354

IUPAC4-phenylquinoline-3-carbaldehyde
SMILESO=Cc1cnc2ccccc2c1-c1ccccc1
InChIInChI=1S/C16H11NO/c18-11-13-10-17-15-9-5-4-8-14(15)16(13)12-6-2-1-3-7-12/h1-11H
InChIKeyKFFJTQFFDAVLLA-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.71
Rot. Bonds2

About 4-phenylquinoline-3-carbaldehyde

4-phenylquinoline-3-carbaldehyde (PubChem CID 1448354) has the molecular formula C16H11NO and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-phenylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name4-phenylquinoline-3-carbaldehyde
PubChem CID1448354
Molecular FormulaC16H11NO
Molecular Weight233.27 g/mol
Exact Mass233.08
IUPAC Name4-phenylquinoline-3-carbaldehyde
SMILESO=Cc1cnc2ccccc2c1-c1ccccc1
InChIInChI=1S/C16H11NO/c18-11-13-10-17-15-9-5-4-8-14(15)16(13)12-6-2-1-3-7-12/h1-11H
InChIKeyKFFJTQFFDAVLLA-UHFFFAOYSA-N
XLogP3.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.71
H-Bond Donors ≤ 50
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 4-phenylquinoline-3-carbaldehyde?
The IUPAC name of 4-phenylquinoline-3-carbaldehyde (CID 1448354) is 4-phenylquinoline-3-carbaldehyde.
What is the SMILES notation for 4-phenylquinoline-3-carbaldehyde?
The canonical SMILES for 4-phenylquinoline-3-carbaldehyde is O=Cc1cnc2ccccc2c1-c1ccccc1.
What is the InChIKey of 4-phenylquinoline-3-carbaldehyde?
The InChIKey is KFFJTQFFDAVLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO/c18-11-13-10-17-15-9-5-4-8-14(15)16(13)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 4-phenylquinoline-3-carbaldehyde?
4-phenylquinoline-3-carbaldehyde has a molecular weight of 233.27 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylquinoline-3-carbaldehyde is sourced from PubChem (CID 1448354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).