9-(4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione

C19H18FNO2 — CID 23248494

IUPAC9-(4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1)C1=C(CCCC1=O)N2
InChIInChI=1S/C19H18FNO2/c20-12-9-7-11(8-10-12)17-18-13(3-1-5-15(18)22)21-14-4-2-6-16(23)19(14)17/h7-10,17,21H,1-6H2
InChIKeyUUFAQGZNDNDPDE-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.53
Rot. Bonds1

About 9-(4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione

9-(4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (PubChem CID 23248494) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione.

Molecular Properties

Compound Name9-(4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
PubChem CID23248494
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name9-(4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1)C1=C(CCCC1=O)N2
InChIInChI=1S/C19H18FNO2/c20-12-9-7-11(8-10-12)17-18-13(3-1-5-15(18)22)21-14-4-2-6-16(23)19(14)17/h7-10,17,21H,1-6H2
InChIKeyUUFAQGZNDNDPDE-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-fluorophenyl)-3,4,5,6,7,9-hexahydrofuro[3,4-b]quinoline-1,8-dione
CID 4859766
9-(4-hydroxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 704566
9-[4-[(4-fluorophenyl)methoxy]phenyl]-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 5104099
(5R)-5-(4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione
CID 7161091
2-amino-5-(4-fluorophenyl)-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135930675
2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetic acid
CID 1080337
9-(3-bromo-4-hydroxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 1492652
4-(4-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
CID 3158421
6-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-benzo[c][1,5]benzothiazepin-7-one
CID 3159884
9-(4-fluorophenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
CID 135418171
9-(4-hydroxy-3-nitrophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 126040198
(4S)-4-(4-fluorophenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92539544

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The IUPAC name of 9-(4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (CID 23248494) is 9-(4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione.
What is the SMILES notation for 9-(4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The canonical SMILES for 9-(4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione is O=C1CCCC2=C1C(c1ccc(F)cc1)C1=C(CCCC1=O)N2.
What is the InChIKey of 9-(4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The InChIKey is UUFAQGZNDNDPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c20-12-9-7-11(8-10-12)17-18-13(3-1-5-15(18)22)21-14-4-2-6-16(23)19(14)17/h7-10,17,21H,1-6H2.
What are the key properties of 9-(4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
9-(4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione has a molecular weight of 311.36 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione is sourced from PubChem (CID 23248494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).