9-butoxyacridine

C17H17NO — CID 45488807

IUPAC9-butoxyacridine
SMILESCCCCOc1c2ccccc2nc2ccccc12
InChIInChI=1S/C17H17NO/c1-2-3-12-19-17-13-8-4-6-10-15(13)18-16-11-7-5-9-14(16)17/h4-11H,2-3,12H2,1H3
InChIKeySALFAEOTMZLWHI-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.57
Rot. Bonds4

About 9-butoxyacridine

9-butoxyacridine (PubChem CID 45488807) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 9-butoxyacridine.

Molecular Properties

Compound Name9-butoxyacridine
PubChem CID45488807
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name9-butoxyacridine
SMILESCCCCOc1c2ccccc2nc2ccccc12
InChIInChI=1S/C17H17NO/c1-2-3-12-19-17-13-8-4-6-10-15(13)18-16-11-7-5-9-14(16)17/h4-11H,2-3,12H2,1H3
InChIKeySALFAEOTMZLWHI-UHFFFAOYSA-N
XLogP4.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.57
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-butoxyacridine?
The IUPAC name of 9-butoxyacridine (CID 45488807) is 9-butoxyacridine.
What is the SMILES notation for 9-butoxyacridine?
The canonical SMILES for 9-butoxyacridine is CCCCOc1c2ccccc2nc2ccccc12.
What is the InChIKey of 9-butoxyacridine?
The InChIKey is SALFAEOTMZLWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-3-12-19-17-13-8-4-6-10-15(13)18-16-11-7-5-9-14(16)17/h4-11H,2-3,12H2,1H3.
What are the key properties of 9-butoxyacridine?
9-butoxyacridine has a molecular weight of 251.33 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butoxyacridine is sourced from PubChem (CID 45488807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).