2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide

C17H14FN3O3 — CID 47023949

IUPAC2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide
SMILESO=C(Cn1cnc2ccc(F)cc2c1=O)NOCc1ccccc1
InChIInChI=1S/C17H14FN3O3/c18-13-6-7-15-14(8-13)17(23)21(11-19-15)9-16(22)20-24-10-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,20,22)
InChIKeyUMWUTDNAUHWRBT-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.78
Rot. Bonds5

About 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide (PubChem CID 47023949) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide
PubChem CID47023949
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide
SMILESO=C(Cn1cnc2ccc(F)cc2c1=O)NOCc1ccccc1
InChIInChI=1S/C17H14FN3O3/c18-13-6-7-15-14(8-13)17(23)21(11-19-15)9-16(22)20-24-10-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,20,22)
InChIKeyUMWUTDNAUHWRBT-UHFFFAOYSA-N
XLogP1.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768
N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46583999
N-[2-(diethylamino)-3-phenylpropyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46413948
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 46581294
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 46584174
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-thiophen-3-ylethyl)acetamide
CID 46400059
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30840318
N'-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 46582418
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-pentylacetamide
CID 46585809
N-cyclopropyl-2-[2-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]hydrazinyl]-2-oxoacetamide
CID 46463478
N-[1-(3-bromophenyl)ethyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55577613

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide?
The IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide (CID 47023949) is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide.
What is the SMILES notation for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide?
The canonical SMILES for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide is O=C(Cn1cnc2ccc(F)cc2c1=O)NOCc1ccccc1.
What is the InChIKey of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide?
The InChIKey is UMWUTDNAUHWRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c18-13-6-7-15-14(8-13)17(23)21(11-19-15)9-16(22)20-24-10-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,20,22).
What are the key properties of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide?
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide has a molecular weight of 327.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide is sourced from PubChem (CID 47023949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).