10-[4-(3-bromophenyl)piperazine-1-carbonyl]acridin-9-one

C24H20BrN3O2 — CID 162647463

IUPAC10-[4-(3-bromophenyl)piperazine-1-carbonyl]acridin-9-one
SMILESO=C(N1CCN(c2cccc(Br)c2)CC1)n1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C24H20BrN3O2/c25-17-6-5-7-18(16-17)26-12-14-27(15-13-26)24(30)28-21-10-3-1-8-19(21)23(29)20-9-2-4-11-22(20)28/h1-11,16H,12-15H2
InChIKeyKAECEORDUHLTSB-UHFFFAOYSA-N
MW462.35 g/mol
LogP4.71
Rot. Bonds1

About 10-[4-(3-bromophenyl)piperazine-1-carbonyl]acridin-9-one

10-[4-(3-bromophenyl)piperazine-1-carbonyl]acridin-9-one (PubChem CID 162647463) has the molecular formula C24H20BrN3O2 and a molecular weight of 462.35 g/mol. Its IUPAC name is 10-[4-(3-bromophenyl)piperazine-1-carbonyl]acridin-9-one.

Molecular Properties

Compound Name10-[4-(3-bromophenyl)piperazine-1-carbonyl]acridin-9-one
PubChem CID162647463
Molecular FormulaC24H20BrN3O2
Molecular Weight462.35 g/mol
Exact Mass461.07
IUPAC Name10-[4-(3-bromophenyl)piperazine-1-carbonyl]acridin-9-one
SMILESO=C(N1CCN(c2cccc(Br)c2)CC1)n1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C24H20BrN3O2/c25-17-6-5-7-18(16-17)26-12-14-27(15-13-26)24(30)28-21-10-3-1-8-19(21)23(29)20-9-2-4-11-22(20)28/h1-11,16H,12-15H2
InChIKeyKAECEORDUHLTSB-UHFFFAOYSA-N
XLogP4.71
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.35
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 170459085
carbazol-9-yl-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]methanone;methane
CID 160829700
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 113079434
prop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate
CID 170459088
1-(3-bromophenyl)pyrrolidine
CID 7016459
4-(3-bromophenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 113113017
1-[4-(3-bromophenyl)piperazin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 136542143
1-(3-bromophenyl)-4-tert-butylpiperazine
CID 68819490
1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46587894
4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde
CID 108988584
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(9-oxoacridin-10-yl)acetamide
CID 39303950

Frequently Asked Questions

What is the IUPAC name of 10-[4-(3-bromophenyl)piperazine-1-carbonyl]acridin-9-one?
The IUPAC name of 10-[4-(3-bromophenyl)piperazine-1-carbonyl]acridin-9-one (CID 162647463) is 10-[4-(3-bromophenyl)piperazine-1-carbonyl]acridin-9-one.
What is the SMILES notation for 10-[4-(3-bromophenyl)piperazine-1-carbonyl]acridin-9-one?
The canonical SMILES for 10-[4-(3-bromophenyl)piperazine-1-carbonyl]acridin-9-one is O=C(N1CCN(c2cccc(Br)c2)CC1)n1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of 10-[4-(3-bromophenyl)piperazine-1-carbonyl]acridin-9-one?
The InChIKey is KAECEORDUHLTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN3O2/c25-17-6-5-7-18(16-17)26-12-14-27(15-13-26)24(30)28-21-10-3-1-8-19(21)23(29)20-9-2-4-11-22(20)28/h1-11,16H,12-15H2.
What are the key properties of 10-[4-(3-bromophenyl)piperazine-1-carbonyl]acridin-9-one?
10-[4-(3-bromophenyl)piperazine-1-carbonyl]acridin-9-one has a molecular weight of 462.35 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(3-bromophenyl)piperazine-1-carbonyl]acridin-9-one is sourced from PubChem (CID 162647463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).