3-hexoxyacridine

C19H21NO — CID 141299786

IUPAC3-hexoxyacridine
SMILESCCCCCCOc1ccc2cc3ccccc3nc2c1
InChIInChI=1S/C19H21NO/c1-2-3-4-7-12-21-17-11-10-16-13-15-8-5-6-9-18(15)20-19(16)14-17/h5-6,8-11,13-14H,2-4,7,12H2,1H3
InChIKeyBDLGOTUSBAAIMP-UHFFFAOYSA-N
MW279.38 g/mol
LogP5.35
Rot. Bonds6

About 3-hexoxyacridine

3-hexoxyacridine (PubChem CID 141299786) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-hexoxyacridine.

Molecular Properties

Compound Name3-hexoxyacridine
PubChem CID141299786
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name3-hexoxyacridine
SMILESCCCCCCOc1ccc2cc3ccccc3nc2c1
InChIInChI=1S/C19H21NO/c1-2-3-4-7-12-21-17-11-10-16-13-15-8-5-6-9-18(15)20-19(16)14-17/h5-6,8-11,13-14H,2-4,7,12H2,1H3
InChIKeyBDLGOTUSBAAIMP-UHFFFAOYSA-N
XLogP5.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.38
LogP ≤ 55.35
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-hexoxyacridine?
The IUPAC name of 3-hexoxyacridine (CID 141299786) is 3-hexoxyacridine.
What is the SMILES notation for 3-hexoxyacridine?
The canonical SMILES for 3-hexoxyacridine is CCCCCCOc1ccc2cc3ccccc3nc2c1.
What is the InChIKey of 3-hexoxyacridine?
The InChIKey is BDLGOTUSBAAIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-3-4-7-12-21-17-11-10-16-13-15-8-5-6-9-18(15)20-19(16)14-17/h5-6,8-11,13-14H,2-4,7,12H2,1H3.
What are the key properties of 3-hexoxyacridine?
3-hexoxyacridine has a molecular weight of 279.38 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxyacridine is sourced from PubChem (CID 141299786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).