9-(3-fluorophenyl)-3,4,5,6,7,8,8a,9-octahydro-2H-acridin-1-one

C19H20FNO — CID 54149340

IUPAC9-(3-fluorophenyl)-3,4,5,6,7,8,8a,9-octahydro-2H-acridin-1-one
SMILESO=C1CCCC2=C1C(c1cccc(F)c1)C1CCCCC1=N2
InChIInChI=1S/C19H20FNO/c20-13-6-3-5-12(11-13)18-14-7-1-2-8-15(14)21-16-9-4-10-17(22)19(16)18/h3,5-6,11,14,18H,1-2,4,7-10H2
InChIKeyOGQQENVFDXLVNY-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.56
Rot. Bonds1

About 9-(3-fluorophenyl)-3,4,5,6,7,8,8a,9-octahydro-2H-acridin-1-one

9-(3-fluorophenyl)-3,4,5,6,7,8,8a,9-octahydro-2H-acridin-1-one (PubChem CID 54149340) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 9-(3-fluorophenyl)-3,4,5,6,7,8,8a,9-octahydro-2H-acridin-1-one.

Molecular Properties

Compound Name9-(3-fluorophenyl)-3,4,5,6,7,8,8a,9-octahydro-2H-acridin-1-one
PubChem CID54149340
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name9-(3-fluorophenyl)-3,4,5,6,7,8,8a,9-octahydro-2H-acridin-1-one
SMILESO=C1CCCC2=C1C(c1cccc(F)c1)C1CCCCC1=N2
InChIInChI=1S/C19H20FNO/c20-13-6-3-5-12(11-13)18-14-7-1-2-8-15(14)21-16-9-4-10-17(22)19(16)18/h3,5-6,11,14,18H,1-2,4,7-10H2
InChIKeyOGQQENVFDXLVNY-UHFFFAOYSA-N
XLogP4.56
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(3-fluorophenyl)-3,4,5,6,7,8,8a,9-octahydro-2H-acridin-1-one with MolForge

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Related Compounds

3-(1,8-Dioxo-2,3,4,5,6,7,8a,9-octahydroacridin-9-yl)benzonitrile
CID 53933047
2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
CID 74686932
4-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
CID 74686978
3,3,6,6-Tetramethyl-9-[4-(trifluoromethyl)phenyl]-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
CID 78429564
4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
CID 78429684
4-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
CID 78431387
2,7,7-Trimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 78433831
4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
CID 78470745
4-(2-fluorophenyl)-7,7-dimethyl-4,4a,6,8-tetrahydro-3H-quinoline-2,5-dione
CID 145921890
9-(3-Fluorophenyl)-3,4,5,6,7,8,9,10-octahydro-1(2H)-acridinone
CID 19958901
5-(2,3,4,5,6,7,8,9-octahydro-3,3,6,6-tetramethyl-1,8-dioxo-1H-acridin-9-yl)-2-fluorobenzonitrile
CID 22117829
2-methyl-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinolin-5-one
CID 53703226

Frequently Asked Questions

What is the IUPAC name of 9-(3-fluorophenyl)-3,4,5,6,7,8,8a,9-octahydro-2H-acridin-1-one?
The IUPAC name of 9-(3-fluorophenyl)-3,4,5,6,7,8,8a,9-octahydro-2H-acridin-1-one (CID 54149340) is 9-(3-fluorophenyl)-3,4,5,6,7,8,8a,9-octahydro-2H-acridin-1-one.
What is the SMILES notation for 9-(3-fluorophenyl)-3,4,5,6,7,8,8a,9-octahydro-2H-acridin-1-one?
The canonical SMILES for 9-(3-fluorophenyl)-3,4,5,6,7,8,8a,9-octahydro-2H-acridin-1-one is O=C1CCCC2=C1C(c1cccc(F)c1)C1CCCCC1=N2.
What is the InChIKey of 9-(3-fluorophenyl)-3,4,5,6,7,8,8a,9-octahydro-2H-acridin-1-one?
The InChIKey is OGQQENVFDXLVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c20-13-6-3-5-12(11-13)18-14-7-1-2-8-15(14)21-16-9-4-10-17(22)19(16)18/h3,5-6,11,14,18H,1-2,4,7-10H2.
What are the key properties of 9-(3-fluorophenyl)-3,4,5,6,7,8,8a,9-octahydro-2H-acridin-1-one?
9-(3-fluorophenyl)-3,4,5,6,7,8,8a,9-octahydro-2H-acridin-1-one has a molecular weight of 297.37 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluorophenyl)-3,4,5,6,7,8,8a,9-octahydro-2H-acridin-1-one is sourced from PubChem (CID 54149340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).