2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide

C12H10F3N3O2 — CID 2457069

IUPAC2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1ncnc2ccccc12)NCC(F)(F)F
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)6-16-10(19)5-20-11-8-3-1-2-4-9(8)17-7-18-11/h1-4,7H,5-6H2,(H,16,19)
InChIKeyYQTCEHJTICCRMG-UHFFFAOYSA-N
MW285.22 g/mol
LogP1.69
Rot. Bonds4

About 2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide

2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2457069) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2457069
Molecular FormulaC12H10F3N3O2
Molecular Weight285.22 g/mol
Exact Mass285.07
IUPAC Name2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1ncnc2ccccc12)NCC(F)(F)F
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)6-16-10(19)5-20-11-8-3-1-2-4-9(8)17-7-18-11/h1-4,7H,5-6H2,(H,16,19)
InChIKeyYQTCEHJTICCRMG-UHFFFAOYSA-N
XLogP1.69
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-quinazolin-4-yloxyacetamide
CID 2422162
N-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide
CID 78801696
ethyl N-(2-quinazolin-4-yloxyacetyl)carbamate
CID 2630697
N-(prop-2-enylcarbamoyl)-2-quinazolin-4-yloxyacetamide
CID 2630701
N-[(1R)-1-phenylethyl]-2-quinazolin-4-yloxyacetamide
CID 2392998
methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate
CID 2393006
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-quinazolin-4-yloxyacetamide
CID 46964275
N-[2-(difluoromethoxy)phenyl]-2-quinazolin-4-yloxyacetamide
CID 2392933
N-(3,5-dimethoxyphenyl)-2-quinazolin-4-yloxyacetamide
CID 2375476
N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-quinazolin-4-yloxyacetamide
CID 90653539
N-[(1S,2S)-2-methylcyclohexyl]-2-quinazolin-4-yloxyacetamide
CID 2693322
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide
CID 25128264

Frequently Asked Questions

What is the IUPAC name of 2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide (CID 2457069) is 2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide is O=C(COc1ncnc2ccccc12)NCC(F)(F)F.
What is the InChIKey of 2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YQTCEHJTICCRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c13-12(14,15)6-16-10(19)5-20-11-8-3-1-2-4-9(8)17-7-18-11/h1-4,7H,5-6H2,(H,16,19).
What are the key properties of 2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide?
2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 285.22 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinazolin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2457069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).