3-(2-fluorophenyl)-4-oxoquinazoline-2-carbaldehyde

C15H9FN2O2 — CID 165126111

IUPAC3-(2-fluorophenyl)-4-oxoquinazoline-2-carbaldehyde
SMILESO=Cc1nc2ccccc2c(=O)n1-c1ccccc1F
InChIInChI=1S/C15H9FN2O2/c16-11-6-2-4-8-13(11)18-14(9-19)17-12-7-3-1-5-10(12)15(18)20/h1-9H
InChIKeyWXLDCVQIHMHUPW-UHFFFAOYSA-N
MW268.25 g/mol
LogP2.34
Rot. Bonds2

About 3-(2-fluorophenyl)-4-oxoquinazoline-2-carbaldehyde

3-(2-fluorophenyl)-4-oxoquinazoline-2-carbaldehyde (PubChem CID 165126111) has the molecular formula C15H9FN2O2 and a molecular weight of 268.25 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-oxoquinazoline-2-carbaldehyde.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-oxoquinazoline-2-carbaldehyde
PubChem CID165126111
Molecular FormulaC15H9FN2O2
Molecular Weight268.25 g/mol
Exact Mass268.06
IUPAC Name3-(2-fluorophenyl)-4-oxoquinazoline-2-carbaldehyde
SMILESO=Cc1nc2ccccc2c(=O)n1-c1ccccc1F
InChIInChI=1S/C15H9FN2O2/c16-11-6-2-4-8-13(11)18-14(9-19)17-12-7-3-1-5-10(12)15(18)20/h1-9H
InChIKeyWXLDCVQIHMHUPW-UHFFFAOYSA-N
XLogP2.34
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 52.34
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 3-(2-fluorophenyl)-4-oxoquinazoline-2-carbaldehyde?
The IUPAC name of 3-(2-fluorophenyl)-4-oxoquinazoline-2-carbaldehyde (CID 165126111) is 3-(2-fluorophenyl)-4-oxoquinazoline-2-carbaldehyde.
What is the SMILES notation for 3-(2-fluorophenyl)-4-oxoquinazoline-2-carbaldehyde?
The canonical SMILES for 3-(2-fluorophenyl)-4-oxoquinazoline-2-carbaldehyde is O=Cc1nc2ccccc2c(=O)n1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-4-oxoquinazoline-2-carbaldehyde?
The InChIKey is WXLDCVQIHMHUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O2/c16-11-6-2-4-8-13(11)18-14(9-19)17-12-7-3-1-5-10(12)15(18)20/h1-9H.
What are the key properties of 3-(2-fluorophenyl)-4-oxoquinazoline-2-carbaldehyde?
3-(2-fluorophenyl)-4-oxoquinazoline-2-carbaldehyde has a molecular weight of 268.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-oxoquinazoline-2-carbaldehyde is sourced from PubChem (CID 165126111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).