9-(4-methoxybutyl)acridine

C18H19NO — CID 54573696

IUPAC9-(4-methoxybutyl)acridine
SMILESCOCCCCc1c2ccccc2nc2ccccc12
InChIInChI=1S/C18H19NO/c1-20-13-7-6-8-14-15-9-2-4-11-17(15)19-18-12-5-3-10-16(14)18/h2-5,9-12H,6-8,13H2,1H3
InChIKeyZZBXVXACXJPZCP-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.36
Rot. Bonds5

About 9-(4-methoxybutyl)acridine

9-(4-methoxybutyl)acridine (PubChem CID 54573696) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 9-(4-methoxybutyl)acridine.

Molecular Properties

Compound Name9-(4-methoxybutyl)acridine
PubChem CID54573696
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name9-(4-methoxybutyl)acridine
SMILESCOCCCCc1c2ccccc2nc2ccccc12
InChIInChI=1S/C18H19NO/c1-20-13-7-6-8-14-15-9-2-4-11-17(15)19-18-12-5-3-10-16(14)18/h2-5,9-12H,6-8,13H2,1H3
InChIKeyZZBXVXACXJPZCP-UHFFFAOYSA-N
XLogP4.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 9-(4-methoxybutyl)acridine?
The IUPAC name of 9-(4-methoxybutyl)acridine (CID 54573696) is 9-(4-methoxybutyl)acridine.
What is the SMILES notation for 9-(4-methoxybutyl)acridine?
The canonical SMILES for 9-(4-methoxybutyl)acridine is COCCCCc1c2ccccc2nc2ccccc12.
What is the InChIKey of 9-(4-methoxybutyl)acridine?
The InChIKey is ZZBXVXACXJPZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-20-13-7-6-8-14-15-9-2-4-11-17(15)19-18-12-5-3-10-16(14)18/h2-5,9-12H,6-8,13H2,1H3.
What are the key properties of 9-(4-methoxybutyl)acridine?
9-(4-methoxybutyl)acridine has a molecular weight of 265.36 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxybutyl)acridine is sourced from PubChem (CID 54573696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).