2-octyl-2H-acridin-1-one

C21H25NO — CID 141215682

IUPAC2-octyl-2H-acridin-1-one
SMILESCCCCCCCCC1C=Cc2nc3ccccc3cc2C1=O
InChIInChI=1S/C21H25NO/c1-2-3-4-5-6-7-10-16-13-14-20-18(21(16)23)15-17-11-8-9-12-19(17)22-20/h8-9,11-16H,2-7,10H2,1H3
InChIKeyMVCRXSWLNBLRLR-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.81
Rot. Bonds7

About 2-octyl-2H-acridin-1-one

2-octyl-2H-acridin-1-one (PubChem CID 141215682) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-octyl-2H-acridin-1-one.

Molecular Properties

Compound Name2-octyl-2H-acridin-1-one
PubChem CID141215682
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name2-octyl-2H-acridin-1-one
SMILESCCCCCCCCC1C=Cc2nc3ccccc3cc2C1=O
InChIInChI=1S/C21H25NO/c1-2-3-4-5-6-7-10-16-13-14-20-18(21(16)23)15-17-11-8-9-12-19(17)22-20/h8-9,11-16H,2-7,10H2,1H3
InChIKeyMVCRXSWLNBLRLR-UHFFFAOYSA-N
XLogP5.81
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-octyl-2H-acridin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acridine;heptane
CID 158562494
2-propyl-2H-anthracen-1-one
CID 156777722
acridine;S-ethyl octanethioate
CID 174426267
(4R,5E)-5-benzylidene-4-octylcyclopent-2-en-1-one
CID 177385826
1-octyl-1,2,3,4-tetrahydroacridine
CID 54330566
3-hexylacridine
CID 21394642
1-octadecylacridine
CID 87175858
1-hexadecylacridine;hydrochloride
CID 172754650
3-hexoxyacridine
CID 141299786
2-fluoro-3-pentylquinoline
CID 67913215
(2R)-2-octadecyl-1,2-dihydroindol-3-one
CID 162846310
9-nonyl-9H-fluorene
CID 22568532

Frequently Asked Questions

What is the IUPAC name of 2-octyl-2H-acridin-1-one?
The IUPAC name of 2-octyl-2H-acridin-1-one (CID 141215682) is 2-octyl-2H-acridin-1-one.
What is the SMILES notation for 2-octyl-2H-acridin-1-one?
The canonical SMILES for 2-octyl-2H-acridin-1-one is CCCCCCCCC1C=Cc2nc3ccccc3cc2C1=O.
What is the InChIKey of 2-octyl-2H-acridin-1-one?
The InChIKey is MVCRXSWLNBLRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-2-3-4-5-6-7-10-16-13-14-20-18(21(16)23)15-17-11-8-9-12-19(17)22-20/h8-9,11-16H,2-7,10H2,1H3.
What are the key properties of 2-octyl-2H-acridin-1-one?
2-octyl-2H-acridin-1-one has a molecular weight of 307.44 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyl-2H-acridin-1-one is sourced from PubChem (CID 141215682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).