2-(1-phenyldiazenylethyl)-3H-quinazolin-4-one

C16H14N4O — CID 137154926

IUPAC2-(1-phenyldiazenylethyl)-3H-quinazolin-4-one
SMILESCC(/N=N/c1ccccc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H14N4O/c1-11(19-20-12-7-3-2-4-8-12)15-17-14-10-6-5-9-13(14)16(21)18-15/h2-11H,1H3,(H,17,18,21)/b20-19+
InChIKeyAKENMMVGDJYPKZ-FMQUCBEESA-N
MW278.31 g/mol
LogP3.77
Rot. Bonds3

About 2-(1-phenyldiazenylethyl)-3H-quinazolin-4-one

2-(1-phenyldiazenylethyl)-3H-quinazolin-4-one (PubChem CID 137154926) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(1-phenyldiazenylethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1-phenyldiazenylethyl)-3H-quinazolin-4-one
PubChem CID137154926
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name2-(1-phenyldiazenylethyl)-3H-quinazolin-4-one
SMILESCC(/N=N/c1ccccc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H14N4O/c1-11(19-20-12-7-3-2-4-8-12)15-17-14-10-6-5-9-13(14)16(21)18-15/h2-11H,1H3,(H,17,18,21)/b20-19+
InChIKeyAKENMMVGDJYPKZ-FMQUCBEESA-N
XLogP3.77
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-(dimethoxymethyl)-3H-quinazolin-4-one
CID 135453675
N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide
CID 137132952
2-[(1R)-1-[methyl-[(1S)-1-phenylethyl]amino]ethyl]-3H-quinazolin-4-one
CID 136794259
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(1R)-1-phenylethyl]azanium
CID 135612855
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(1S)-1-phenylethyl]azanium
CID 135612853
2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one
CID 136877593
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
2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one
CID 135737118
2-(1-hydroxy-2-phenylethyl)-3H-quinazolin-4-one
CID 175537868
[(1R)-1-naphthalen-1-ylethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135809561
2-[(1R)-1-(4-bromoanilino)ethyl]-3H-quinazolin-4-one
CID 135839568

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyldiazenylethyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(1-phenyldiazenylethyl)-3H-quinazolin-4-one (CID 137154926) is 2-(1-phenyldiazenylethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1-phenyldiazenylethyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(1-phenyldiazenylethyl)-3H-quinazolin-4-one is CC(/N=N/c1ccccc1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(1-phenyldiazenylethyl)-3H-quinazolin-4-one?
The InChIKey is AKENMMVGDJYPKZ-FMQUCBEESA-N. The full InChI is InChI=1S/C16H14N4O/c1-11(19-20-12-7-3-2-4-8-12)15-17-14-10-6-5-9-13(14)16(21)18-15/h2-11H,1H3,(H,17,18,21)/b20-19+.
What are the key properties of 2-(1-phenyldiazenylethyl)-3H-quinazolin-4-one?
2-(1-phenyldiazenylethyl)-3H-quinazolin-4-one has a molecular weight of 278.31 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyldiazenylethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 137154926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).