2-octoxy-10H-acridin-9-one

C21H25NO2 — CID 611041

IUPAC2-octoxy-10H-acridin-9-one
SMILESCCCCCCCCOc1ccc2[nH]c3ccccc3c(=O)c2c1
InChIInChI=1S/C21H25NO2/c1-2-3-4-5-6-9-14-24-16-12-13-20-18(15-16)21(23)17-10-7-8-11-19(17)22-20/h7-8,10-13,15H,2-6,9,14H2,1H3,(H,22,23)
InChIKeyVILXFCYSZPQWHD-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.42
Rot. Bonds8

About 2-octoxy-10H-acridin-9-one

2-octoxy-10H-acridin-9-one (PubChem CID 611041) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-octoxy-10H-acridin-9-one.

Molecular Properties

Compound Name2-octoxy-10H-acridin-9-one
PubChem CID611041
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name2-octoxy-10H-acridin-9-one
SMILESCCCCCCCCOc1ccc2[nH]c3ccccc3c(=O)c2c1
InChIInChI=1S/C21H25NO2/c1-2-3-4-5-6-9-14-24-16-12-13-20-18(15-16)21(23)17-10-7-8-11-19(17)22-20/h7-8,10-13,15H,2-6,9,14H2,1H3,(H,22,23)
InChIKeyVILXFCYSZPQWHD-UHFFFAOYSA-N
XLogP5.42
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.42
H-Bond Donors ≤ 51
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

2,7-diethoxy-10H-acridin-9-one
CID 163923657
2,7-bis[2-(propylamino)ethoxy]-10H-acridin-9-one
CID 57439648
2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one
CID 57439654
2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one
CID 57439669
2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one
CID 57439670
3-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 24991441
2,7-bis[2-(dimethylamino)ethoxy]-10H-acridin-9-one
CID 57439652
N,N-bis(4-butoxyphenyl)-9H-carbazol-3-amine
CID 142290194
2-phenoxy-10H-acridin-9-one
CID 14029103
6-butoxy-2-methyl-4-oxo-1H-quinoline-3-carbonitrile
CID 82245502
2-[(2-methoxy-5-methylphenyl)methoxy]-10H-acridin-9-one
CID 25336490
2-(5-butoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 4991882

Frequently Asked Questions

What is the IUPAC name of 2-octoxy-10H-acridin-9-one?
The IUPAC name of 2-octoxy-10H-acridin-9-one (CID 611041) is 2-octoxy-10H-acridin-9-one.
What is the SMILES notation for 2-octoxy-10H-acridin-9-one?
The canonical SMILES for 2-octoxy-10H-acridin-9-one is CCCCCCCCOc1ccc2[nH]c3ccccc3c(=O)c2c1.
What is the InChIKey of 2-octoxy-10H-acridin-9-one?
The InChIKey is VILXFCYSZPQWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-2-3-4-5-6-9-14-24-16-12-13-20-18(15-16)21(23)17-10-7-8-11-19(17)22-20/h7-8,10-13,15H,2-6,9,14H2,1H3,(H,22,23).
What are the key properties of 2-octoxy-10H-acridin-9-one?
2-octoxy-10H-acridin-9-one has a molecular weight of 323.44 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octoxy-10H-acridin-9-one is sourced from PubChem (CID 611041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).