2-chloro-10-(4-piperidin-1-ylbutyl)acridin-9-one

C22H25ClN2O — CID 11846557

IUPAC2-chloro-10-(4-piperidin-1-ylbutyl)acridin-9-one
SMILESO=c1c2ccccc2n(CCCCN2CCCCC2)c2ccc(Cl)cc12
InChIInChI=1S/C22H25ClN2O/c23-17-10-11-21-19(16-17)22(26)18-8-2-3-9-20(18)25(21)15-7-6-14-24-12-4-1-5-13-24/h2-3,8-11,16H,1,4-7,12-15H2
InChIKeyHRUVQGQKSJUBOM-UHFFFAOYSA-N
MW368.91 g/mol
LogP5.07
Rot. Bonds5

About 2-chloro-10-(4-piperidin-1-ylbutyl)acridin-9-one

2-chloro-10-(4-piperidin-1-ylbutyl)acridin-9-one (PubChem CID 11846557) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is 2-chloro-10-(4-piperidin-1-ylbutyl)acridin-9-one.

Molecular Properties

Compound Name2-chloro-10-(4-piperidin-1-ylbutyl)acridin-9-one
PubChem CID11846557
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name2-chloro-10-(4-piperidin-1-ylbutyl)acridin-9-one
SMILESO=c1c2ccccc2n(CCCCN2CCCCC2)c2ccc(Cl)cc12
InChIInChI=1S/C22H25ClN2O/c23-17-10-11-21-19(16-17)22(26)18-8-2-3-9-20(18)25(21)15-7-6-14-24-12-4-1-5-13-24/h2-3,8-11,16H,1,4-7,12-15H2
InChIKeyHRUVQGQKSJUBOM-UHFFFAOYSA-N
XLogP5.07
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.91
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-10-(4-piperidin-1-ylbutyl)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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-(4-piperidin-1-ylbutyl)acridin-9-one?
The IUPAC name of 2-chloro-10-(4-piperidin-1-ylbutyl)acridin-9-one (CID 11846557) is 2-chloro-10-(4-piperidin-1-ylbutyl)acridin-9-one.
What is the SMILES notation for 2-chloro-10-(4-piperidin-1-ylbutyl)acridin-9-one?
The canonical SMILES for 2-chloro-10-(4-piperidin-1-ylbutyl)acridin-9-one is O=c1c2ccccc2n(CCCCN2CCCCC2)c2ccc(Cl)cc12.
What is the InChIKey of 2-chloro-10-(4-piperidin-1-ylbutyl)acridin-9-one?
The InChIKey is HRUVQGQKSJUBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O/c23-17-10-11-21-19(16-17)22(26)18-8-2-3-9-20(18)25(21)15-7-6-14-24-12-4-1-5-13-24/h2-3,8-11,16H,1,4-7,12-15H2.
What are the key properties of 2-chloro-10-(4-piperidin-1-ylbutyl)acridin-9-one?
2-chloro-10-(4-piperidin-1-ylbutyl)acridin-9-one has a molecular weight of 368.91 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-(4-piperidin-1-ylbutyl)acridin-9-one is sourced from PubChem (CID 11846557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).