2-(3-fluoro-4-hydroxyphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone

C20H19FN4O2 — CID 56902186

IUPAC2-(3-fluoro-4-hydroxyphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccc(O)c(F)c1)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C20H19FN4O2/c21-16-11-14(5-6-18(16)26)12-19(27)24-7-9-25(10-8-24)20-15-3-1-2-4-17(15)22-13-23-20/h1-6,11,13,26H,7-10,12H2
InChIKeyNRILBLJHROXGOZ-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.37
Rot. Bonds3

About 2-(3-fluoro-4-hydroxyphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone

2-(3-fluoro-4-hydroxyphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone (PubChem CID 56902186) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-(3-fluoro-4-hydroxyphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluoro-4-hydroxyphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone
PubChem CID56902186
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name2-(3-fluoro-4-hydroxyphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccc(O)c(F)c1)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C20H19FN4O2/c21-16-11-14(5-6-18(16)26)12-19(27)24-7-9-25(10-8-24)20-15-3-1-2-4-17(15)22-13-23-20/h1-6,11,13,26H,7-10,12H2
InChIKeyNRILBLJHROXGOZ-UHFFFAOYSA-N
XLogP2.37
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylsulfonyl-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one
CID 131930952
2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]phenol
CID 71508231
2-(3-fluorophenyl)-1-(4-isoquinolin-1-ylpiperazin-1-yl)ethanone
CID 110711471
4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline
CID 9463976
2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 56903524
(3S)-3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 42192717
1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32884666
1-[4-[2-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 24720194
2,2-dimethyl-1-(4-quinazolin-4-yl-1,4-diazepan-1-yl)propan-1-one
CID 171335913
1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
CID 142220575
1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2-(3-fluoro-4-hydroxyphenyl)ethanone
CID 133121724
4-(azepan-1-yl)quinazoline
CID 5207391

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone (CID 56902186) is 2-(3-fluoro-4-hydroxyphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-fluoro-4-hydroxyphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-fluoro-4-hydroxyphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone is O=C(Cc1ccc(O)c(F)c1)N1CCN(c2ncnc3ccccc23)CC1.
What is the InChIKey of 2-(3-fluoro-4-hydroxyphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone?
The InChIKey is NRILBLJHROXGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-16-11-14(5-6-18(16)26)12-19(27)24-7-9-25(10-8-24)20-15-3-1-2-4-17(15)22-13-23-20/h1-6,11,13,26H,7-10,12H2.
What are the key properties of 2-(3-fluoro-4-hydroxyphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone?
2-(3-fluoro-4-hydroxyphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone has a molecular weight of 366.40 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-hydroxyphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 56902186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).