4-phenylquinazoline-6-carbaldehyde

C15H10N2O — CID 57469642

IUPAC4-phenylquinazoline-6-carbaldehyde
SMILESO=Cc1ccc2ncnc(-c3ccccc3)c2c1
InChIInChI=1S/C15H10N2O/c18-9-11-6-7-14-13(8-11)15(17-10-16-14)12-4-2-1-3-5-12/h1-10H
InChIKeyURQMTVUNNHZDIJ-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.11
Rot. Bonds2

About 4-phenylquinazoline-6-carbaldehyde

4-phenylquinazoline-6-carbaldehyde (PubChem CID 57469642) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-phenylquinazoline-6-carbaldehyde.

Molecular Properties

Compound Name4-phenylquinazoline-6-carbaldehyde
PubChem CID57469642
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name4-phenylquinazoline-6-carbaldehyde
SMILESO=Cc1ccc2ncnc(-c3ccccc3)c2c1
InChIInChI=1S/C15H10N2O/c18-9-11-6-7-14-13(8-11)15(17-10-16-14)12-4-2-1-3-5-12/h1-10H
InChIKeyURQMTVUNNHZDIJ-UHFFFAOYSA-N
XLogP3.11
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
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-phenylquinazoline-6-carbaldehyde?
The IUPAC name of 4-phenylquinazoline-6-carbaldehyde (CID 57469642) is 4-phenylquinazoline-6-carbaldehyde.
What is the SMILES notation for 4-phenylquinazoline-6-carbaldehyde?
The canonical SMILES for 4-phenylquinazoline-6-carbaldehyde is O=Cc1ccc2ncnc(-c3ccccc3)c2c1.
What is the InChIKey of 4-phenylquinazoline-6-carbaldehyde?
The InChIKey is URQMTVUNNHZDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O/c18-9-11-6-7-14-13(8-11)15(17-10-16-14)12-4-2-1-3-5-12/h1-10H.
What are the key properties of 4-phenylquinazoline-6-carbaldehyde?
4-phenylquinazoline-6-carbaldehyde has a molecular weight of 234.26 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylquinazoline-6-carbaldehyde is sourced from PubChem (CID 57469642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).