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

C20H20ClFN4O3 — CID 120737659

IUPAC3-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride
SMILESCl.O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C20H19FN4O3.ClH/c21-14-5-3-4-13(10-14)17-11-22-8-9-24(17)18(26)12-25-19(27)15-6-1-2-7-16(15)23-20(25)28;/h1-7,10,17,22H,8-9,11-12H2,(H,23,28);1H
InChIKeyMAIMMAWKLLTMIP-UHFFFAOYSA-N
MW418.86 g/mol
LogP1.42
Rot. Bonds3

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

3-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride (PubChem CID 120737659) has the molecular formula C20H20ClFN4O3 and a molecular weight of 418.86 g/mol. Its IUPAC name is 3-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride
PubChem CID120737659
Molecular FormulaC20H20ClFN4O3
Molecular Weight418.86 g/mol
Exact Mass418.12
IUPAC Name3-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride
SMILESCl.O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C20H19FN4O3.ClH/c21-14-5-3-4-13(10-14)17-11-22-8-9-24(17)18(26)12-25-19(27)15-6-1-2-7-16(15)23-20(25)28;/h1-7,10,17,22H,8-9,11-12H2,(H,23,28);1H
InChIKeyMAIMMAWKLLTMIP-UHFFFAOYSA-N
XLogP1.42
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.86
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 120735990
2-(1-benzothiophen-3-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120735995
2-(5-bromothiophen-2-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735590
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 120737844
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120736155
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120735849
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120737496
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
2-(1,3-benzodioxol-5-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735998
3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 120736221

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride?
The IUPAC name of 3-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride (CID 120737659) is 3-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride?
The canonical SMILES for 3-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride is Cl.O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 3-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride?
The InChIKey is MAIMMAWKLLTMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3.ClH/c21-14-5-3-4-13(10-14)17-11-22-8-9-24(17)18(26)12-25-19(27)15-6-1-2-7-16(15)23-20(25)28;/h1-7,10,17,22H,8-9,11-12H2,(H,23,28);1H.
What are the key properties of 3-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride?
3-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride has a molecular weight of 418.86 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride is sourced from PubChem (CID 120737659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).