1,3-dimethyl-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one

C23H28N2O — CID 46927915

IUPAC1,3-dimethyl-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one
SMILESCc1cc(C)c2c(=O)c3ccccc3n(CCCCN3CCCC3)c2c1
InChIInChI=1S/C23H28N2O/c1-17-15-18(2)22-21(16-17)25(14-8-7-13-24-11-5-6-12-24)20-10-4-3-9-19(20)23(22)26/h3-4,9-10,15-16H,5-8,11-14H2,1-2H3
InChIKeyRPOLTJLMEDUCOE-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.65
Rot. Bonds5

About 1,3-dimethyl-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one

1,3-dimethyl-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one (PubChem CID 46927915) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1,3-dimethyl-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one.

Molecular Properties

Compound Name1,3-dimethyl-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one
PubChem CID46927915
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1,3-dimethyl-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one
SMILESCc1cc(C)c2c(=O)c3ccccc3n(CCCCN3CCCC3)c2c1
InChIInChI=1S/C23H28N2O/c1-17-15-18(2)22-21(16-17)25(14-8-7-13-24-11-5-6-12-24)20-10-4-3-9-19(20)23(22)26/h3-4,9-10,15-16H,5-8,11-14H2,1-2H3
InChIKeyRPOLTJLMEDUCOE-UHFFFAOYSA-N
XLogP4.65
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.65
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 1,3-dimethyl-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one?
The IUPAC name of 1,3-dimethyl-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one (CID 46927915) is 1,3-dimethyl-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one.
What is the SMILES notation for 1,3-dimethyl-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one?
The canonical SMILES for 1,3-dimethyl-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one is Cc1cc(C)c2c(=O)c3ccccc3n(CCCCN3CCCC3)c2c1.
What is the InChIKey of 1,3-dimethyl-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one?
The InChIKey is RPOLTJLMEDUCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-17-15-18(2)22-21(16-17)25(14-8-7-13-24-11-5-6-12-24)20-10-4-3-9-19(20)23(22)26/h3-4,9-10,15-16H,5-8,11-14H2,1-2H3.
What are the key properties of 1,3-dimethyl-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one?
1,3-dimethyl-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one has a molecular weight of 348.49 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one is sourced from PubChem (CID 46927915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).