2-(1-hydroxy-2-phenylethyl)-3H-quinazolin-4-one

C16H14N2O2 — CID 175537868

IUPAC2-(1-hydroxy-2-phenylethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(C(O)Cc2ccccc2)nc2ccccc12
InChIInChI=1S/C16H14N2O2/c19-14(10-11-6-2-1-3-7-11)15-17-13-9-5-4-8-12(13)16(20)18-15/h1-9,14,19H,10H2,(H,17,18,20)
InChIKeyHUAOULPMNLGPIH-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.20
Rot. Bonds3

About 2-(1-hydroxy-2-phenylethyl)-3H-quinazolin-4-one

2-(1-hydroxy-2-phenylethyl)-3H-quinazolin-4-one (PubChem CID 175537868) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(1-hydroxy-2-phenylethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1-hydroxy-2-phenylethyl)-3H-quinazolin-4-one
PubChem CID175537868
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(1-hydroxy-2-phenylethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(C(O)Cc2ccccc2)nc2ccccc12
InChIInChI=1S/C16H14N2O2/c19-14(10-11-6-2-1-3-7-11)15-17-13-9-5-4-8-12(13)16(20)18-15/h1-9,14,19H,10H2,(H,17,18,20)
InChIKeyHUAOULPMNLGPIH-UHFFFAOYSA-N
XLogP2.20
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1,3-dihydroxypropyl]-3H-quinazolin-4-one
CID 135404229
2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one
CID 135737118
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-phenylacetate
CID 135840683
2-(dimethoxymethyl)-3H-quinazolin-4-one
CID 135453675
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(2-methylpropyl)benzoate
CID 135739614
2-[(1R)-1-[methyl-[(1S)-1-phenylethyl]amino]ethyl]-3H-quinazolin-4-one
CID 136794259
2-[1-(1H-benzimidazol-2-yl)propan-2-yl]-3H-quinazolin-4-one
CID 137315643
2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one
CID 136877593
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one
CID 137303959
2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-3H-quinazolin-4-one
CID 135726942
2-[(1R)-1-(propan-2-ylamino)propyl]-3H-quinazolin-4-one
CID 135800866

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-phenylethyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(1-hydroxy-2-phenylethyl)-3H-quinazolin-4-one (CID 175537868) is 2-(1-hydroxy-2-phenylethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1-hydroxy-2-phenylethyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(1-hydroxy-2-phenylethyl)-3H-quinazolin-4-one is O=c1[nH]c(C(O)Cc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-(1-hydroxy-2-phenylethyl)-3H-quinazolin-4-one?
The InChIKey is HUAOULPMNLGPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-14(10-11-6-2-1-3-7-11)15-17-13-9-5-4-8-12(13)16(20)18-15/h1-9,14,19H,10H2,(H,17,18,20).
What are the key properties of 2-(1-hydroxy-2-phenylethyl)-3H-quinazolin-4-one?
2-(1-hydroxy-2-phenylethyl)-3H-quinazolin-4-one has a molecular weight of 266.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-phenylethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 175537868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).