2-fluoro-10-(4-piperidin-1-ylbutyl)acridin-9-one

C22H25FN2O — CID 44596826

IUPAC2-fluoro-10-(4-piperidin-1-ylbutyl)acridin-9-one
SMILESO=c1c2ccccc2n(CCCCN2CCCCC2)c2ccc(F)cc12
InChIInChI=1S/C22H25FN2O/c23-17-10-11-21-19(16-17)22(26)18-8-2-3-9-20(18)25(21)15-7-6-14-24-12-4-1-5-13-24/h2-3,8-11,16H,1,4-7,12-15H2
InChIKeyNWXUGDGYUIUSSI-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.56
Rot. Bonds5

About 2-fluoro-10-(4-piperidin-1-ylbutyl)acridin-9-one

2-fluoro-10-(4-piperidin-1-ylbutyl)acridin-9-one (PubChem CID 44596826) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 2-fluoro-10-(4-piperidin-1-ylbutyl)acridin-9-one.

Molecular Properties

Compound Name2-fluoro-10-(4-piperidin-1-ylbutyl)acridin-9-one
PubChem CID44596826
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name2-fluoro-10-(4-piperidin-1-ylbutyl)acridin-9-one
SMILESO=c1c2ccccc2n(CCCCN2CCCCC2)c2ccc(F)cc12
InChIInChI=1S/C22H25FN2O/c23-17-10-11-21-19(16-17)22(26)18-8-2-3-9-20(18)25(21)15-7-6-14-24-12-4-1-5-13-24/h2-3,8-11,16H,1,4-7,12-15H2
InChIKeyNWXUGDGYUIUSSI-UHFFFAOYSA-N
XLogP4.56
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one
CID 11846558
2-chloro-10-(4-morpholin-4-ylbutyl)acridin-9-one
CID 11846559
2-bromo-10-(4-thiomorpholin-4-ylbutyl)acridin-9-one
CID 11846737
4-fluoro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]acridin-9-one
CID 53363396
2-(2-fluoro-9-oxoacridin-10-yl)-N-phenylacetamide
CID 166637503
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
1-[6-acetyl-9-[3-(azepan-1-yl)propyl]carbazol-3-yl]ethanone
CID 45381456
10-(6-chlorohexyl)acridin-9-one
CID 44566069
10-(3-hydroxypropyl)acridin-9-one
CID 12677142
1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone
CID 73348033
2-(3-fluorocarbazol-9-yl)ethanol
CID 90309942
9-[2-(2-pyrrolidin-1-ylethoxy)ethyl]carbazole
CID 18593135

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-10-(4-piperidin-1-ylbutyl)acridin-9-one?
The IUPAC name of 2-fluoro-10-(4-piperidin-1-ylbutyl)acridin-9-one (CID 44596826) is 2-fluoro-10-(4-piperidin-1-ylbutyl)acridin-9-one.
What is the SMILES notation for 2-fluoro-10-(4-piperidin-1-ylbutyl)acridin-9-one?
The canonical SMILES for 2-fluoro-10-(4-piperidin-1-ylbutyl)acridin-9-one is O=c1c2ccccc2n(CCCCN2CCCCC2)c2ccc(F)cc12.
What is the InChIKey of 2-fluoro-10-(4-piperidin-1-ylbutyl)acridin-9-one?
The InChIKey is NWXUGDGYUIUSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c23-17-10-11-21-19(16-17)22(26)18-8-2-3-9-20(18)25(21)15-7-6-14-24-12-4-1-5-13-24/h2-3,8-11,16H,1,4-7,12-15H2.
What are the key properties of 2-fluoro-10-(4-piperidin-1-ylbutyl)acridin-9-one?
2-fluoro-10-(4-piperidin-1-ylbutyl)acridin-9-one has a molecular weight of 352.45 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-10-(4-piperidin-1-ylbutyl)acridin-9-one is sourced from PubChem (CID 44596826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).