2-chloro-10-(3-pyrrolidin-1-ylpropyl)acridin-9-one

C20H21ClN2O — CID 11846395

IUPAC2-chloro-10-(3-pyrrolidin-1-ylpropyl)acridin-9-one
SMILESO=c1c2ccccc2n(CCCN2CCCC2)c2ccc(Cl)cc12
InChIInChI=1S/C20H21ClN2O/c21-15-8-9-19-17(14-15)20(24)16-6-1-2-7-18(16)23(19)13-5-12-22-10-3-4-11-22/h1-2,6-9,14H,3-5,10-13H2
InChIKeyHYFXJDANCKDWKL-UHFFFAOYSA-N
MW340.85 g/mol
LogP4.29
Rot. Bonds4

About 2-chloro-10-(3-pyrrolidin-1-ylpropyl)acridin-9-one

2-chloro-10-(3-pyrrolidin-1-ylpropyl)acridin-9-one (PubChem CID 11846395) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is 2-chloro-10-(3-pyrrolidin-1-ylpropyl)acridin-9-one.

Molecular Properties

Compound Name2-chloro-10-(3-pyrrolidin-1-ylpropyl)acridin-9-one
PubChem CID11846395
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name2-chloro-10-(3-pyrrolidin-1-ylpropyl)acridin-9-one
SMILESO=c1c2ccccc2n(CCCN2CCCC2)c2ccc(Cl)cc12
InChIInChI=1S/C20H21ClN2O/c21-15-8-9-19-17(14-15)20(24)16-6-1-2-7-18(16)23(19)13-5-12-22-10-3-4-11-22/h1-2,6-9,14H,3-5,10-13H2
InChIKeyHYFXJDANCKDWKL-UHFFFAOYSA-N
XLogP4.29
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-10-(3-pyrrolidin-1-ylpropyl)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-(3-pyrrolidin-1-ylpropyl)acridin-9-one?
The IUPAC name of 2-chloro-10-(3-pyrrolidin-1-ylpropyl)acridin-9-one (CID 11846395) is 2-chloro-10-(3-pyrrolidin-1-ylpropyl)acridin-9-one.
What is the SMILES notation for 2-chloro-10-(3-pyrrolidin-1-ylpropyl)acridin-9-one?
The canonical SMILES for 2-chloro-10-(3-pyrrolidin-1-ylpropyl)acridin-9-one is O=c1c2ccccc2n(CCCN2CCCC2)c2ccc(Cl)cc12.
What is the InChIKey of 2-chloro-10-(3-pyrrolidin-1-ylpropyl)acridin-9-one?
The InChIKey is HYFXJDANCKDWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c21-15-8-9-19-17(14-15)20(24)16-6-1-2-7-18(16)23(19)13-5-12-22-10-3-4-11-22/h1-2,6-9,14H,3-5,10-13H2.
What are the key properties of 2-chloro-10-(3-pyrrolidin-1-ylpropyl)acridin-9-one?
2-chloro-10-(3-pyrrolidin-1-ylpropyl)acridin-9-one has a molecular weight of 340.85 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-(3-pyrrolidin-1-ylpropyl)acridin-9-one is sourced from PubChem (CID 11846395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).