10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one

C27H26FN3O2 — CID 22330323

IUPAC10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one
SMILESO=C(CCCn1c2ccccc2c(=O)c2ccccc21)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C27H26FN3O2/c28-22-10-3-6-13-25(22)29-16-18-30(19-17-29)26(32)14-7-15-31-23-11-4-1-8-20(23)27(33)21-9-2-5-12-24(21)31/h1-6,8-13H,7,14-19H2
InChIKeyBYSPSIYDGQRLSG-UHFFFAOYSA-N
MW443.52 g/mol
LogP4.42
Rot. Bonds5

About 10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one

10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one (PubChem CID 22330323) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is 10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one.

Molecular Properties

Compound Name10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one
PubChem CID22330323
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC Name10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one
SMILESO=C(CCCn1c2ccccc2c(=O)c2ccccc21)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C27H26FN3O2/c28-22-10-3-6-13-25(22)29-16-18-30(19-17-29)26(32)14-7-15-31-23-11-4-1-8-20(23)27(33)21-9-2-5-12-24(21)31/h1-6,8-13H,7,14-19H2
InChIKeyBYSPSIYDGQRLSG-UHFFFAOYSA-N
XLogP4.42
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-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

4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
CID 3309376
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 18106218
1-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pentane-1,5-dione
CID 3982950
3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one
CID 110854608
methyl 3-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate
CID 42585797
3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one
CID 84578028
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 20969017
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 110685207
3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one
CID 91951087
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one
CID 109014531
10-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acridin-9-one
CID 38505423

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one?
The IUPAC name of 10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one (CID 22330323) is 10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one.
What is the SMILES notation for 10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one?
The canonical SMILES for 10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one is O=C(CCCn1c2ccccc2c(=O)c2ccccc21)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one?
The InChIKey is BYSPSIYDGQRLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2/c28-22-10-3-6-13-25(22)29-16-18-30(19-17-29)26(32)14-7-15-31-23-11-4-1-8-20(23)27(33)21-9-2-5-12-24(21)31/h1-6,8-13H,7,14-19H2.
What are the key properties of 10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one?
10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one has a molecular weight of 443.52 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one is sourced from PubChem (CID 22330323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).