4-methoxy-10-(4-phenoxybutyl)acridin-9-one

C24H23NO3 — CID 42631252

IUPAC4-methoxy-10-(4-phenoxybutyl)acridin-9-one
SMILESCOc1cccc2c(=O)c3ccccc3n(CCCCOc3ccccc3)c12
InChIInChI=1S/C24H23NO3/c1-27-22-15-9-13-20-23(22)25(21-14-6-5-12-19(21)24(20)26)16-7-8-17-28-18-10-3-2-4-11-18/h2-6,9-15H,7-8,16-17H2,1H3
InChIKeyBDAAWGVSAXUJHP-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.02
Rot. Bonds7

About 4-methoxy-10-(4-phenoxybutyl)acridin-9-one

4-methoxy-10-(4-phenoxybutyl)acridin-9-one (PubChem CID 42631252) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-methoxy-10-(4-phenoxybutyl)acridin-9-one.

Molecular Properties

Compound Name4-methoxy-10-(4-phenoxybutyl)acridin-9-one
PubChem CID42631252
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name4-methoxy-10-(4-phenoxybutyl)acridin-9-one
SMILESCOc1cccc2c(=O)c3ccccc3n(CCCCOc3ccccc3)c12
InChIInChI=1S/C24H23NO3/c1-27-22-15-9-13-20-23(22)25(21-14-6-5-12-19(21)24(20)26)16-7-8-17-28-18-10-3-2-4-11-18/h2-6,9-15H,7-8,16-17H2,1H3
InChIKeyBDAAWGVSAXUJHP-UHFFFAOYSA-N
XLogP5.02
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-methoxy-10-(4-phenoxybutyl)acridin-9-one?
The IUPAC name of 4-methoxy-10-(4-phenoxybutyl)acridin-9-one (CID 42631252) is 4-methoxy-10-(4-phenoxybutyl)acridin-9-one.
What is the SMILES notation for 4-methoxy-10-(4-phenoxybutyl)acridin-9-one?
The canonical SMILES for 4-methoxy-10-(4-phenoxybutyl)acridin-9-one is COc1cccc2c(=O)c3ccccc3n(CCCCOc3ccccc3)c12.
What is the InChIKey of 4-methoxy-10-(4-phenoxybutyl)acridin-9-one?
The InChIKey is BDAAWGVSAXUJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-27-22-15-9-13-20-23(22)25(21-14-6-5-12-19(21)24(20)26)16-7-8-17-28-18-10-3-2-4-11-18/h2-6,9-15H,7-8,16-17H2,1H3.
What are the key properties of 4-methoxy-10-(4-phenoxybutyl)acridin-9-one?
4-methoxy-10-(4-phenoxybutyl)acridin-9-one has a molecular weight of 373.45 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-10-(4-phenoxybutyl)acridin-9-one is sourced from PubChem (CID 42631252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).