4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)benzaldehyde

C15H12N2O2 — CID 57333053

IUPAC4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)benzaldehyde
SMILESO=Cc1ccc(C2NC(=O)c3ccccc3N2)cc1
InChIInChI=1S/C15H12N2O2/c18-9-10-5-7-11(8-6-10)14-16-13-4-2-1-3-12(13)15(19)17-14/h1-9,14,16H,(H,17,19)
InChIKeyJLIJGJXTVZNIRQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.35
Rot. Bonds2

About 4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)benzaldehyde

4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)benzaldehyde (PubChem CID 57333053) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)benzaldehyde
PubChem CID57333053
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)benzaldehyde
SMILESO=Cc1ccc(C2NC(=O)c3ccccc3N2)cc1
InChIInChI=1S/C15H12N2O2/c18-9-10-5-7-11(8-6-10)14-16-13-4-2-1-3-12(13)15(19)17-14/h1-9,14,16H,(H,17,19)
InChIKeyJLIJGJXTVZNIRQ-UHFFFAOYSA-N
XLogP2.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.35
H-Bond Donors ≤ 52
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-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)benzaldehyde?
The IUPAC name of 4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)benzaldehyde (CID 57333053) is 4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)benzaldehyde.
What is the SMILES notation for 4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)benzaldehyde?
The canonical SMILES for 4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)benzaldehyde is O=Cc1ccc(C2NC(=O)c3ccccc3N2)cc1.
What is the InChIKey of 4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)benzaldehyde?
The InChIKey is JLIJGJXTVZNIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-9-10-5-7-11(8-6-10)14-16-13-4-2-1-3-12(13)15(19)17-14/h1-9,14,16H,(H,17,19).
What are the key properties of 4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)benzaldehyde?
4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)benzaldehyde has a molecular weight of 252.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)benzaldehyde is sourced from PubChem (CID 57333053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).