10-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]acridin-9-one

C24H22ClN3O2S — CID 37200919

IUPAC10-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]acridin-9-one
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C24H22ClN3O2S/c25-22-10-9-17(31-22)15-26-11-13-27(14-12-26)23(29)16-28-20-7-3-1-5-18(20)24(30)19-6-2-4-8-21(19)28/h1-10H,11-16H2
InChIKeyGNBFIWQLVJIESC-UHFFFAOYSA-N
MW451.98 g/mol
LogP4.21
Rot. Bonds4

About 10-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]acridin-9-one

10-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]acridin-9-one (PubChem CID 37200919) has the molecular formula C24H22ClN3O2S and a molecular weight of 451.98 g/mol. Its IUPAC name is 10-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]acridin-9-one.

Molecular Properties

Compound Name10-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]acridin-9-one
PubChem CID37200919
Molecular FormulaC24H22ClN3O2S
Molecular Weight451.98 g/mol
Exact Mass451.11
IUPAC Name10-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]acridin-9-one
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C24H22ClN3O2S/c25-22-10-9-17(31-22)15-26-11-13-27(14-12-26)23(29)16-28-20-7-3-1-5-18(20)24(30)19-6-2-4-8-21(19)28/h1-10H,11-16H2
InChIKeyGNBFIWQLVJIESC-UHFFFAOYSA-N
XLogP4.21
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.98
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]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

N,N-dimethyl-2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]acetamide
CID 46518244
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-phenylmethanone
CID 60641592
10-[2-oxo-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]acridin-9-one
CID 37249746
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 17426212
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-5-hydroxypentan-1-one
CID 79199876
3-amino-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 64684882
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-4-hydroxypentan-1-one
CID 79204548
10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one
CID 55515627
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 62491432
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-(propylamino)ethanone
CID 60687899
2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone
CID 43012688

Frequently Asked Questions

What is the IUPAC name of 10-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]acridin-9-one?
The IUPAC name of 10-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]acridin-9-one (CID 37200919) is 10-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]acridin-9-one.
What is the SMILES notation for 10-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]acridin-9-one?
The canonical SMILES for 10-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]acridin-9-one is O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(Cc2ccc(Cl)s2)CC1.
What is the InChIKey of 10-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]acridin-9-one?
The InChIKey is GNBFIWQLVJIESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2S/c25-22-10-9-17(31-22)15-26-11-13-27(14-12-26)23(29)16-28-20-7-3-1-5-18(20)24(30)19-6-2-4-8-21(19)28/h1-10H,11-16H2.
What are the key properties of 10-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]acridin-9-one?
10-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]acridin-9-one has a molecular weight of 451.98 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]acridin-9-one is sourced from PubChem (CID 37200919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).