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

C20H21ClN2O2 — CID 54613243

IUPAC3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one
SMILESO=c1c2ccccc2n(CC(O)CN2CCCC2)c2cc(Cl)ccc12
InChIInChI=1S/C20H21ClN2O2/c21-14-7-8-17-19(11-14)23(13-15(24)12-22-9-3-4-10-22)18-6-2-1-5-16(18)20(17)25/h1-2,5-8,11,15,24H,3-4,9-10,12-13H2
InChIKeyNXZSWXLMBYAKTB-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.26
Rot. Bonds4

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

3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one (PubChem CID 54613243) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one.

Molecular Properties

Compound Name3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one
PubChem CID54613243
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one
SMILESO=c1c2ccccc2n(CC(O)CN2CCCC2)c2cc(Cl)ccc12
InChIInChI=1S/C20H21ClN2O2/c21-14-7-8-17-19(11-14)23(13-15(24)12-22-9-3-4-10-22)18-6-2-1-5-16(18)20(17)25/h1-2,5-8,11,15,24H,3-4,9-10,12-13H2
InChIKeyNXZSWXLMBYAKTB-UHFFFAOYSA-N
XLogP3.26
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one?
The IUPAC name of 3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one (CID 54613243) is 3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one.
What is the SMILES notation for 3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one?
The canonical SMILES for 3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one is O=c1c2ccccc2n(CC(O)CN2CCCC2)c2cc(Cl)ccc12.
What is the InChIKey of 3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one?
The InChIKey is NXZSWXLMBYAKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-14-7-8-17-19(11-14)23(13-15(24)12-22-9-3-4-10-22)18-6-2-1-5-16(18)20(17)25/h1-2,5-8,11,15,24H,3-4,9-10,12-13H2.
What are the key properties of 3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one?
3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one has a molecular weight of 356.85 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one is sourced from PubChem (CID 54613243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).