(E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one

C22H19FN4O2 — CID 33014689

IUPAC(E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cnc2ccccc2n1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H19FN4O2/c23-17-5-3-4-16(14-17)22(29)27-12-10-26(11-13-27)21(28)9-8-18-15-24-19-6-1-2-7-20(19)25-18/h1-9,14-15H,10-13H2/b9-8+
InChIKeyRKUDKOOLPUTSRB-CMDGGOBGSA-N
MW390.42 g/mol
LogP2.77
Rot. Bonds3

About (E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one

(E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one (PubChem CID 33014689) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is (E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
PubChem CID33014689
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name(E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cnc2ccccc2n1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H19FN4O2/c23-17-5-3-4-16(14-17)22(29)27-12-10-26(11-13-27)21(28)9-8-18-15-24-19-6-1-2-7-20(19)25-18/h1-9,14-15H,10-13H2/b9-8+
InChIKeyRKUDKOOLPUTSRB-CMDGGOBGSA-N
XLogP2.77
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one 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

(E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 36511505
(E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 33014305
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(E)-1-[4-(4-hydroxyiminopiperidine-1-carbonyl)phenyl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 11531426
(E)-1-[4-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 11662362
1-[4-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 67013230
(Z)-1-[(3R)-3-anilinopyrrolidin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 98499166
(E)-1-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 9033180
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-3-carboxamide
CID 78784791
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one (CID 33014689) is (E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one is O=C(/C=C/c1cnc2ccccc2n1)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of (E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one?
The InChIKey is RKUDKOOLPUTSRB-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H19FN4O2/c23-17-5-3-4-16(14-17)22(29)27-12-10-26(11-13-27)21(28)9-8-18-15-24-19-6-1-2-7-20(19)25-18/h1-9,14-15H,10-13H2/b9-8+.
What are the key properties of (E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one?
(E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one has a molecular weight of 390.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one is sourced from PubChem (CID 33014689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).