N-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide

C18H17N3O3 — CID 78801696

IUPACN-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide
SMILESO=C(COc1ncnc2ccccc12)NCCOc1ccccc1
InChIInChI=1S/C18H17N3O3/c22-17(19-10-11-23-14-6-2-1-3-7-14)12-24-18-15-8-4-5-9-16(15)20-13-21-18/h1-9,13H,10-12H2,(H,19,22)
InChIKeyMXXZVQOZJIGWPC-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.20
Rot. Bonds7

About N-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide

N-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide (PubChem CID 78801696) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide
PubChem CID78801696
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide
SMILESO=C(COc1ncnc2ccccc12)NCCOc1ccccc1
InChIInChI=1S/C18H17N3O3/c22-17(19-10-11-23-14-6-2-1-3-7-14)12-24-18-15-8-4-5-9-16(15)20-13-21-18/h1-9,13H,10-12H2,(H,19,22)
InChIKeyMXXZVQOZJIGWPC-UHFFFAOYSA-N
XLogP2.20
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-quinazolin-4-yloxyacetamide
CID 2422162
2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 2457069
N-[(1R)-1-phenylethyl]-2-quinazolin-4-yloxyacetamide
CID 2392998
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
2-[2-oxo-2-(2-phenoxyethylamino)ethoxy]acetate
CID 7322054
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-quinazolin-4-yloxyacetamide
CID 46964275
N-(prop-2-enylcarbamoyl)-2-quinazolin-4-yloxyacetamide
CID 2630701
N-(3,5-dimethoxyphenyl)-2-quinazolin-4-yloxyacetamide
CID 2375476
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide
CID 25128264
methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate
CID 2393006

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide?
The IUPAC name of N-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide (CID 78801696) is N-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide.
What is the SMILES notation for N-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide?
The canonical SMILES for N-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide is O=C(COc1ncnc2ccccc12)NCCOc1ccccc1.
What is the InChIKey of N-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide?
The InChIKey is MXXZVQOZJIGWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-17(19-10-11-23-14-6-2-1-3-7-14)12-24-18-15-8-4-5-9-16(15)20-13-21-18/h1-9,13H,10-12H2,(H,19,22).
What are the key properties of N-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide?
N-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide has a molecular weight of 323.35 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide is sourced from PubChem (CID 78801696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).