3-azido-2-decoxyacridine

C23H28N4O — CID 151791607

IUPAC3-azido-2-decoxyacridine
SMILESCCCCCCCCCCOc1cc2cc3ccccc3nc2cc1N=[N+]=[N-]
InChIInChI=1S/C23H28N4O/c1-2-3-4-5-6-7-8-11-14-28-23-16-19-15-18-12-9-10-13-20(18)25-21(19)17-22(23)26-27-24/h9-10,12-13,15-17H,2-8,11,14H2,1H3
InChIKeyRWSSRSIFIBRMMA-UHFFFAOYSA-N
MW376.50 g/mol
LogP7.85
Rot. Bonds11

About 3-azido-2-decoxyacridine

3-azido-2-decoxyacridine (PubChem CID 151791607) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-azido-2-decoxyacridine.

Molecular Properties

Compound Name3-azido-2-decoxyacridine
PubChem CID151791607
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name3-azido-2-decoxyacridine
SMILESCCCCCCCCCCOc1cc2cc3ccccc3nc2cc1N=[N+]=[N-]
InChIInChI=1S/C23H28N4O/c1-2-3-4-5-6-7-8-11-14-28-23-16-19-15-18-12-9-10-13-20(18)25-21(19)17-22(23)26-27-24/h9-10,12-13,15-17H,2-8,11,14H2,1H3
InChIKeyRWSSRSIFIBRMMA-UHFFFAOYSA-N
XLogP7.85
TPSA70.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-hexoxyacridine
CID 141299786
acridine;heptane
CID 158562494
1-decoxyacridine
CID 159660851
3-hexylacridine
CID 21394642
1-nonoxyanthracene
CID 86193569
2,3-didodecoxyquinoxaline
CID 139934452
4-pentoxyquinolin-2-amine
CID 118174578
2-(dodecoxymethyl)quinoline
CID 14754989
3-(azidomethyl)-2-pentylquinoline
CID 174594811
(4-heptoxyquinolin-2-yl)methanamine
CID 63377719
2,13-bis[(3,4,5-tridodecoxyphenyl)methyl]-2,4,11,13,15,22-hexazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene
CID 132542893
acridine-3-carboxylic acid;decan-1-amine
CID 161148808

Frequently Asked Questions

What is the IUPAC name of 3-azido-2-decoxyacridine?
The IUPAC name of 3-azido-2-decoxyacridine (CID 151791607) is 3-azido-2-decoxyacridine.
What is the SMILES notation for 3-azido-2-decoxyacridine?
The canonical SMILES for 3-azido-2-decoxyacridine is CCCCCCCCCCOc1cc2cc3ccccc3nc2cc1N=[N+]=[N-].
What is the InChIKey of 3-azido-2-decoxyacridine?
The InChIKey is RWSSRSIFIBRMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-2-3-4-5-6-7-8-11-14-28-23-16-19-15-18-12-9-10-13-20(18)25-21(19)17-22(23)26-27-24/h9-10,12-13,15-17H,2-8,11,14H2,1H3.
What are the key properties of 3-azido-2-decoxyacridine?
3-azido-2-decoxyacridine has a molecular weight of 376.50 g/mol, XLogP of 7.85, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-2-decoxyacridine is sourced from PubChem (CID 151791607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).