8-[[(1S,2R)-4,6-dichloro-2-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline

C22H20Cl2FN3O — CID 67310022

IUPAC8-[[(1S,2R)-4,6-dichloro-2-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline
SMILESFc1ccc(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2N2CCNCC2)c2ncccc12
InChIInChI=1S/C22H20Cl2FN3O/c23-13-10-16-15(17(24)11-13)12-19(28-8-6-26-7-9-28)22(16)29-20-4-3-18(25)14-2-1-5-27-21(14)20/h1-5,10-11,19,22,26H,6-9,12H2/t19-,22+/m1/s1
InChIKeyWUFRTXFNSPIYDX-KNQAVFIVSA-N
MW432.33 g/mol
LogP4.63
Rot. Bonds3

About 8-[[(1S,2R)-4,6-dichloro-2-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline

8-[[(1S,2R)-4,6-dichloro-2-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline (PubChem CID 67310022) has the molecular formula C22H20Cl2FN3O and a molecular weight of 432.33 g/mol. Its IUPAC name is 8-[[(1S,2R)-4,6-dichloro-2-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline.

Molecular Properties

Compound Name8-[[(1S,2R)-4,6-dichloro-2-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline
PubChem CID67310022
Molecular FormulaC22H20Cl2FN3O
Molecular Weight432.33 g/mol
Exact Mass431.10
IUPAC Name8-[[(1S,2R)-4,6-dichloro-2-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline
SMILESFc1ccc(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2N2CCNCC2)c2ncccc12
InChIInChI=1S/C22H20Cl2FN3O/c23-13-10-16-15(17(24)11-13)12-19(28-8-6-26-7-9-28)22(16)29-20-4-3-18(25)14-2-1-5-27-21(14)20/h1-5,10-11,19,22,26H,6-9,12H2/t19-,22+/m1/s1
InChIKeyWUFRTXFNSPIYDX-KNQAVFIVSA-N
XLogP4.63
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.33
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[[(1S,2R)-4,6-dichloro-2-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline with MolForge

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Launch Full Analysis

Related Compounds

8-[[2-(azetidin-1-yl)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline
CID 67311113
4-[[(1S,2S)-4,6-dichloro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorobenzonitrile
CID 58393837
1-[(1S,2S)-4,6-dichloro-1-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]piperidine
CID 58393614
1-[(1S,2S)-4,6-dichloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperazine
CID 58393477
1-[4,6-dichloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperazine
CID 76774907
1-[4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]-1,4-diazepane
CID 76775018
1-(4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl)pyrrolidine
CID 90369189
4-[4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]morpholine
CID 76775285
3-[3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-5,5-dimethylimidazolidine-2,4-dione
CID 67309793
1-[4-chloro-6-fluoro-1-(3-methyl-4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperazine
CID 67310868
(3R)-1-[(1S,2S)-1-(5-fluoroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58394228
4-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorobenzenesulfonamide
CID 67311249

Frequently Asked Questions

What is the IUPAC name of 8-[[(1S,2R)-4,6-dichloro-2-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline?
The IUPAC name of 8-[[(1S,2R)-4,6-dichloro-2-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline (CID 67310022) is 8-[[(1S,2R)-4,6-dichloro-2-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline.
What is the SMILES notation for 8-[[(1S,2R)-4,6-dichloro-2-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline?
The canonical SMILES for 8-[[(1S,2R)-4,6-dichloro-2-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline is Fc1ccc(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2N2CCNCC2)c2ncccc12.
What is the InChIKey of 8-[[(1S,2R)-4,6-dichloro-2-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline?
The InChIKey is WUFRTXFNSPIYDX-KNQAVFIVSA-N. The full InChI is InChI=1S/C22H20Cl2FN3O/c23-13-10-16-15(17(24)11-13)12-19(28-8-6-26-7-9-28)22(16)29-20-4-3-18(25)14-2-1-5-27-21(14)20/h1-5,10-11,19,22,26H,6-9,12H2/t19-,22+/m1/s1.
What are the key properties of 8-[[(1S,2R)-4,6-dichloro-2-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline?
8-[[(1S,2R)-4,6-dichloro-2-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline has a molecular weight of 432.33 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(1S,2R)-4,6-dichloro-2-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline is sourced from PubChem (CID 67310022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).