2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide

C17H12F4N4O3 — CID 55712280

IUPAC2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
SMILESO=C(Cn1cnc2ccc(F)cc2c1=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C17H12F4N4O3/c18-10-1-3-13-12(5-10)16(27)25(9-23-13)7-14(26)24-11-2-4-15(22-6-11)28-8-17(19,20)21/h1-6,9H,7-8H2,(H,24,26)
InChIKeyZIGQAUQLTIDDRK-UHFFFAOYSA-N
MW396.30 g/mol
LogP2.51
Rot. Bonds5

About 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide (PubChem CID 55712280) has the molecular formula C17H12F4N4O3 and a molecular weight of 396.30 g/mol. Its IUPAC name is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
PubChem CID55712280
Molecular FormulaC17H12F4N4O3
Molecular Weight396.30 g/mol
Exact Mass396.08
IUPAC Name2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
SMILESO=C(Cn1cnc2ccc(F)cc2c1=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C17H12F4N4O3/c18-10-1-3-13-12(5-10)16(27)25(9-23-13)7-14(26)24-11-2-4-15(22-6-11)28-8-17(19,20)21/h1-6,9H,7-8H2,(H,24,26)
InChIKeyZIGQAUQLTIDDRK-UHFFFAOYSA-N
XLogP2.51
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide with MolForge

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46586085
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 46584174
S-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56580060
N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46583999
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 46581458
2-[4-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 30837051
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 55712251
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 46581294
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30840318
N-[3-(dimethylsulfamoyl)phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30839766
N-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide
CID 55891024

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide (CID 55712280) is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide is O=C(Cn1cnc2ccc(F)cc2c1=O)Nc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The InChIKey is ZIGQAUQLTIDDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N4O3/c18-10-1-3-13-12(5-10)16(27)25(9-23-13)7-14(26)24-11-2-4-15(22-6-11)28-8-17(19,20)21/h1-6,9H,7-8H2,(H,24,26).
What are the key properties of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide has a molecular weight of 396.30 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide is sourced from PubChem (CID 55712280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).