4-quinazolin-4-yloxybenzaldehyde

C15H10N2O2 — CID 4029268

IUPAC4-quinazolin-4-yloxybenzaldehyde
SMILESO=Cc1ccc(Oc2ncnc3ccccc23)cc1
InChIInChI=1S/C15H10N2O2/c18-9-11-5-7-12(8-6-11)19-15-13-3-1-2-4-14(13)16-10-17-15/h1-10H
InChIKeyITHFSHZEPHTTKC-UHFFFAOYSA-N
MW250.26 g/mol
LogP3.23
Rot. Bonds3

About 4-quinazolin-4-yloxybenzaldehyde

4-quinazolin-4-yloxybenzaldehyde (PubChem CID 4029268) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-quinazolin-4-yloxybenzaldehyde.

Molecular Properties

Compound Name4-quinazolin-4-yloxybenzaldehyde
PubChem CID4029268
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name4-quinazolin-4-yloxybenzaldehyde
SMILESO=Cc1ccc(Oc2ncnc3ccccc23)cc1
InChIInChI=1S/C15H10N2O2/c18-9-11-5-7-12(8-6-11)19-15-13-3-1-2-4-14(13)16-10-17-15/h1-10H
InChIKeyITHFSHZEPHTTKC-UHFFFAOYSA-N
XLogP3.23
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.23
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 4-quinazolin-4-yloxybenzaldehyde?
The IUPAC name of 4-quinazolin-4-yloxybenzaldehyde (CID 4029268) is 4-quinazolin-4-yloxybenzaldehyde.
What is the SMILES notation for 4-quinazolin-4-yloxybenzaldehyde?
The canonical SMILES for 4-quinazolin-4-yloxybenzaldehyde is O=Cc1ccc(Oc2ncnc3ccccc23)cc1.
What is the InChIKey of 4-quinazolin-4-yloxybenzaldehyde?
The InChIKey is ITHFSHZEPHTTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c18-9-11-5-7-12(8-6-11)19-15-13-3-1-2-4-14(13)16-10-17-15/h1-10H.
What are the key properties of 4-quinazolin-4-yloxybenzaldehyde?
4-quinazolin-4-yloxybenzaldehyde has a molecular weight of 250.26 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinazolin-4-yloxybenzaldehyde is sourced from PubChem (CID 4029268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).