2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylquinolizin-4-one

C20H20FN3O2 — CID 71711752

IUPAC2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylquinolizin-4-one
SMILESCOc1ccc(-c2cc(=O)n3cc(N4CCNCC4)ccc3c2)cc1F
InChIInChI=1S/C20H20FN3O2/c1-26-19-5-2-14(11-18(19)21)15-10-16-3-4-17(13-24(16)20(25)12-15)23-8-6-22-7-9-23/h2-5,10-13,22H,6-9H2,1H3
InChIKeyDQBJMAPVIRKLOI-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.52
Rot. Bonds3

About 2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylquinolizin-4-one

2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylquinolizin-4-one (PubChem CID 71711752) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylquinolizin-4-one.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylquinolizin-4-one
PubChem CID71711752
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylquinolizin-4-one
SMILESCOc1ccc(-c2cc(=O)n3cc(N4CCNCC4)ccc3c2)cc1F
InChIInChI=1S/C20H20FN3O2/c1-26-19-5-2-14(11-18(19)21)15-10-16-3-4-17(13-24(16)20(25)12-15)23-8-6-22-7-9-23/h2-5,10-13,22H,6-9H2,1H3
InChIKeyDQBJMAPVIRKLOI-UHFFFAOYSA-N
XLogP2.52
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3E)-3-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
CID 6374432
Nocazine C
CID 56600878
(2E)-1-(4-ethylpiperazinyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5826833
(6E)-6-[(4-methoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione
CID 5890427
2-(3,4-Dimethoxyphenyl)-7-(1-piperazinyl)-4H-quinolizin-4-one
CID 89740012
5-[2-(4-Methoxyphenyl)ethyl]-1,4-dihydropyrazine-2,3-dione
CID 166951509
N-[2-(4-methoxyphenyl)-1-(4-morpholinylcarbonyl)vinyl]-3-phenylacrylamide
CID 1327321
1-cyclohexyl-2-(5-fluoro-2-methylphenoxy)-3-[(3S)-3-methylpiperazine-1-carbonyl]-5H-pyrrolo[3,2-c]pyridin-6-one
CID 56672053
(3E,6E)-3-[(5-fluoro-2-methylphenyl)methylidene]-6-[(2-methoxyphenyl)methylidene]-1-prop-2-enylpiperazine-2,5-dione
CID 90681690
(3Z,6Z)-3-hexylidene-6-[(4-methoxyphenyl)methylidene]-1-prop-2-enylpiperazine-2,5-dione
CID 162665437
(3Z,6Z)-6-[(2-methoxyphenyl)methylidene]-3-pentylidene-1-prop-2-enylpiperazine-2,5-dione
CID 162667142
(3Z,6Z)-3-heptylidene-6-[(4-methoxyphenyl)methylidene]-1-prop-2-enylpiperazine-2,5-dione
CID 162675622

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylquinolizin-4-one?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylquinolizin-4-one (CID 71711752) is 2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylquinolizin-4-one.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylquinolizin-4-one?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylquinolizin-4-one is COc1ccc(-c2cc(=O)n3cc(N4CCNCC4)ccc3c2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylquinolizin-4-one?
The InChIKey is DQBJMAPVIRKLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-26-19-5-2-14(11-18(19)21)15-10-16-3-4-17(13-24(16)20(25)12-15)23-8-6-22-7-9-23/h2-5,10-13,22H,6-9H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylquinolizin-4-one?
2-(3-fluoro-4-methoxyphenyl)-7-piperazin-1-ylquinolizin-4-one has a molecular weight of 353.40 g/mol, XLogP of 2.52, 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-methoxyphenyl)-7-piperazin-1-ylquinolizin-4-one is sourced from PubChem (CID 71711752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).