(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C24H23ClFN3O — CID 15945471

IUPAC(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2c(Cl)c3c(nc2c1)CCCC3)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H23ClFN3O/c25-23-19-3-1-2-4-21(19)27-22-15-16(5-10-20(22)23)24(30)29-13-11-28(12-14-29)18-8-6-17(26)7-9-18/h5-10,15H,1-4,11-14H2
InChIKeyXZDXSGUHDUFYKS-UHFFFAOYSA-N
MW423.92 g/mol
LogP4.87
Rot. Bonds2

About (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 15945471) has the molecular formula C24H23ClFN3O and a molecular weight of 423.92 g/mol. Its IUPAC name is (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID15945471
Molecular FormulaC24H23ClFN3O
Molecular Weight423.92 g/mol
Exact Mass423.15
IUPAC Name(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2c(Cl)c3c(nc2c1)CCCC3)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H23ClFN3O/c25-23-19-3-1-2-4-21(19)27-22-15-16(5-10-20(22)23)24(30)29-13-11-28(12-14-29)18-8-6-17(26)7-9-18/h5-10,15H,1-4,11-14H2
InChIKeyXZDXSGUHDUFYKS-UHFFFAOYSA-N
XLogP4.87
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 126457296
methyl 4-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)piperazine-1-carboxylate
CID 155528154
9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46503395
(9-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl)-(3-methylpiperidin-1-yl)methanone
CID 20873715
9-chloro-N-ethyl-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256284
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210
6-(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)-3,6-diazabicyclo[3.1.1]heptane-3-carboxylic acid
CID 126753961
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387944
[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone
CID 109051662
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9081742

Frequently Asked Questions

What is the IUPAC name of (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 15945471) is (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccc2c(Cl)c3c(nc2c1)CCCC3)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is XZDXSGUHDUFYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O/c25-23-19-3-1-2-4-21(19)27-22-15-16(5-10-20(22)23)24(30)29-13-11-28(12-14-29)18-8-6-17(26)7-9-18/h5-10,15H,1-4,11-14H2.
What are the key properties of (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 423.92 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 15945471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).