3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione

C21H21FN4O3 — CID 4911305

IUPAC3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione
SMILESCC(C(=O)N1CCN(c2ccc(F)cc2)CC1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H21FN4O3/c1-14(26-20(28)17-4-2-3-5-18(17)23-21(26)29)19(27)25-12-10-24(11-13-25)16-8-6-15(22)7-9-16/h2-9,14H,10-13H2,1H3,(H,23,29)
InChIKeyRUPXAPRLFHOUFW-UHFFFAOYSA-N
MW396.42 g/mol
LogP1.74
Rot. Bonds3

About 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione

3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione (PubChem CID 4911305) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione
PubChem CID4911305
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione
SMILESCC(C(=O)N1CCN(c2ccc(F)cc2)CC1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H21FN4O3/c1-14(26-20(28)17-4-2-3-5-18(17)23-21(26)29)19(27)25-12-10-24(11-13-25)16-8-6-15(22)7-9-16/h2-9,14H,10-13H2,1H3,(H,23,29)
InChIKeyRUPXAPRLFHOUFW-UHFFFAOYSA-N
XLogP1.74
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

5-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one
CID 95059221
3-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)-1H-quinazoline-2,4-dione
CID 4899772
(2S)-1-[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 51427997
2-bromo-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 58778042
2-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)-3H-isoindol-1-one
CID 4567476
2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanoic acid
CID 15860182
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
3-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-quinazoline-2,4-dione
CID 4906314
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 78781351
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(2-methyl-1H-indol-3-yl)propan-1-one
CID 113211563
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 17496772
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78786208

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione (CID 4911305) is 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione is CC(C(=O)N1CCN(c2ccc(F)cc2)CC1)n1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione?
The InChIKey is RUPXAPRLFHOUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-14(26-20(28)17-4-2-3-5-18(17)23-21(26)29)19(27)25-12-10-24(11-13-25)16-8-6-15(22)7-9-16/h2-9,14H,10-13H2,1H3,(H,23,29).
What are the key properties of 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione?
3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione has a molecular weight of 396.42 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 4911305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).