1-decoxyacridine

C23H29NO — CID 159660851

IUPAC1-decoxyacridine
SMILESCCCCCCCCCCOc1cccc2nc3ccccc3cc12
InChIInChI=1S/C23H29NO/c1-2-3-4-5-6-7-8-11-17-25-23-16-12-15-22-20(23)18-19-13-9-10-14-21(19)24-22/h9-10,12-16,18H,2-8,11,17H2,1H3
InChIKeyMSTYZIJBXHJRRY-UHFFFAOYSA-N
MW335.49 g/mol
LogP6.91
Rot. Bonds10

About 1-decoxyacridine

1-decoxyacridine (PubChem CID 159660851) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-decoxyacridine.

Molecular Properties

Compound Name1-decoxyacridine
PubChem CID159660851
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name1-decoxyacridine
SMILESCCCCCCCCCCOc1cccc2nc3ccccc3cc12
InChIInChI=1S/C23H29NO/c1-2-3-4-5-6-7-8-11-17-25-23-16-12-15-22-20(23)18-19-13-9-10-14-21(19)24-22/h9-10,12-16,18H,2-8,11,17H2,1H3
InChIKeyMSTYZIJBXHJRRY-UHFFFAOYSA-N
XLogP6.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 56.91
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

1-nonoxyanthracene
CID 86193569
acridine;heptane
CID 158562494
1-octadecylacridine
CID 87175858
1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170
1-decoxyphenanthrene
CID 140993229
1-hexadecylacridine;hydrochloride
CID 172754650
3-hexoxyacridine
CID 141299786
1-butoxynaphthalene
CID 13262700
4-pentoxyquinolin-2-amine
CID 118174578
5-pentoxynaphthalen-2-ol
CID 22144275
(4-heptoxyquinolin-2-yl)methanamine
CID 63377719

Frequently Asked Questions

What is the IUPAC name of 1-decoxyacridine?
The IUPAC name of 1-decoxyacridine (CID 159660851) is 1-decoxyacridine.
What is the SMILES notation for 1-decoxyacridine?
The canonical SMILES for 1-decoxyacridine is CCCCCCCCCCOc1cccc2nc3ccccc3cc12.
What is the InChIKey of 1-decoxyacridine?
The InChIKey is MSTYZIJBXHJRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-2-3-4-5-6-7-8-11-17-25-23-16-12-15-22-20(23)18-19-13-9-10-14-21(19)24-22/h9-10,12-16,18H,2-8,11,17H2,1H3.
What are the key properties of 1-decoxyacridine?
1-decoxyacridine has a molecular weight of 335.49 g/mol, XLogP of 6.91, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decoxyacridine is sourced from PubChem (CID 159660851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).