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

C21H23ClN2O — CID 11846558

IUPAC2-chloro-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one
SMILESO=c1c2ccccc2n(CCCCN2CCCC2)c2ccc(Cl)cc12
InChIInChI=1S/C21H23ClN2O/c22-16-9-10-20-18(15-16)21(25)17-7-1-2-8-19(17)24(20)14-6-5-13-23-11-3-4-12-23/h1-2,7-10,15H,3-6,11-14H2
InChIKeyCJQVTWKRLOEISU-UHFFFAOYSA-N
MW354.88 g/mol
LogP4.68
Rot. Bonds5

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

2-chloro-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one (PubChem CID 11846558) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is 2-chloro-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one.

Molecular Properties

Compound Name2-chloro-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one
PubChem CID11846558
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC Name2-chloro-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one
SMILESO=c1c2ccccc2n(CCCCN2CCCC2)c2ccc(Cl)cc12
InChIInChI=1S/C21H23ClN2O/c22-16-9-10-20-18(15-16)21(25)17-7-1-2-8-19(17)24(20)14-6-5-13-23-11-3-4-12-23/h1-2,7-10,15H,3-6,11-14H2
InChIKeyCJQVTWKRLOEISU-UHFFFAOYSA-N
XLogP4.68
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.68
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one?
The IUPAC name of 2-chloro-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one (CID 11846558) is 2-chloro-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one.
What is the SMILES notation for 2-chloro-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one?
The canonical SMILES for 2-chloro-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one is O=c1c2ccccc2n(CCCCN2CCCC2)c2ccc(Cl)cc12.
What is the InChIKey of 2-chloro-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one?
The InChIKey is CJQVTWKRLOEISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O/c22-16-9-10-20-18(15-16)21(25)17-7-1-2-8-19(17)24(20)14-6-5-13-23-11-3-4-12-23/h1-2,7-10,15H,3-6,11-14H2.
What are the key properties of 2-chloro-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one?
2-chloro-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one has a molecular weight of 354.88 g/mol, XLogP of 4.68, 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-pyrrolidin-1-ylbutyl)acridin-9-one is sourced from PubChem (CID 11846558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).