Chemical Properties of 4(1H)-Quinazolinone (CAS 491-36-1)

InChI

InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)

InChI Key

QMNUDYFKZYBWQX-UHFFFAOYSA-N

Formula

C8H6N2O

SMILES

O=c1nc[nH]c2ccccc12

Molecular Weight¹

146.15

CAS

491-36-1

Other Names

• 4(3H)-Quinazolinone
• 4-Hydroxyquinazoline
• 4-Oxoquinazoline
• 4-Quinazolinol
• 4-Quinazolinone
• 4-Quinazolone
• Quinazolone, 4-
• 4(3H)-Quinazolone
• NSC 5863
• Quinazolin-4-one
• quinazolin-4(1H)-one

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-1.68		Crippen Calculated Property
logPoct/wat	0.441		Crippen Calculated Property
McVol	106.190	ml/mol	McGowan Calculated Property
Inp	[1733.00; 1733.00]
Inp	1733.00		NIST
Inp	1733.00		NIST
Inp	1733.00		NIST

Similar Compounds

Find more compounds similar to 4(1H)-Quinazolinone.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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