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

C21H17Cl2FN2O — CID 67311113

IUPAC8-[[2-(azetidin-1-yl)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline
SMILESFc1ccc(OC2c3cc(Cl)cc(Cl)c3CC2N2CCC2)c2ncccc12
InChIInChI=1S/C21H17Cl2FN2O/c22-12-9-15-14(16(23)10-12)11-18(26-7-2-8-26)21(15)27-19-5-4-17(24)13-3-1-6-25-20(13)19/h1,3-6,9-10,18,21H,2,7-8,11H2
InChIKeyYFLHZPUAHLTOJX-UHFFFAOYSA-N
MW403.28 g/mol
LogP5.43
Rot. Bonds3

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

8-[[2-(azetidin-1-yl)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline (PubChem CID 67311113) has the molecular formula C21H17Cl2FN2O and a molecular weight of 403.28 g/mol. Its IUPAC name is 8-[[2-(azetidin-1-yl)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline.

Molecular Properties

Compound Name8-[[2-(azetidin-1-yl)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline
PubChem CID67311113
Molecular FormulaC21H17Cl2FN2O
Molecular Weight403.28 g/mol
Exact Mass402.07
IUPAC Name8-[[2-(azetidin-1-yl)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline
SMILESFc1ccc(OC2c3cc(Cl)cc(Cl)c3CC2N2CCC2)c2ncccc12
InChIInChI=1S/C21H17Cl2FN2O/c22-12-9-15-14(16(23)10-12)11-18(26-7-2-8-26)21(15)27-19-5-4-17(24)13-3-1-6-25-20(13)19/h1,3-6,9-10,18,21H,2,7-8,11H2
InChIKeyYFLHZPUAHLTOJX-UHFFFAOYSA-N
XLogP5.43
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.28
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

8-[[(1S,2R)-4,6-dichloro-2-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline
CID 67310022
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
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
(3R)-1-[(1S,2S)-1-(5-fluoroquinolin-8-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58394228
1-[(1S,2S)-1-(4-benzylsulfanyl-2-fluorophenoxy)-4-bromo-6-chloro-2,3-dihydro-1H-inden-2-yl]piperidine
CID 158362713
4-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorobenzenesulfonamide
CID 67311249
(3R)-1-[(1S,2S)-4,6-dichloro-1-[4-(2,4-dimethylimidazol-1-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 58393746
4-[[(1S,2R)-4,6-dichloro-2-(4,4-difluoropiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide
CID 67310462
(3R)-1-[(1S,2S)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 141341706
8-chloro-5-fluoroquinoline
CID 53435993
3-[4-chloro-3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-5,5-dimethylimidazolidine-2,4-dione
CID 67310481
1-[(1S,2S)-4,6-dichloro-1-[5-(2-ethyl-4-methylimidazol-1-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 67310984

Frequently Asked Questions

What is the IUPAC name of 8-[[2-(azetidin-1-yl)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline?
The IUPAC name of 8-[[2-(azetidin-1-yl)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline (CID 67311113) is 8-[[2-(azetidin-1-yl)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline.
What is the SMILES notation for 8-[[2-(azetidin-1-yl)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline?
The canonical SMILES for 8-[[2-(azetidin-1-yl)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline is Fc1ccc(OC2c3cc(Cl)cc(Cl)c3CC2N2CCC2)c2ncccc12.
What is the InChIKey of 8-[[2-(azetidin-1-yl)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline?
The InChIKey is YFLHZPUAHLTOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2FN2O/c22-12-9-15-14(16(23)10-12)11-18(26-7-2-8-26)21(15)27-19-5-4-17(24)13-3-1-6-25-20(13)19/h1,3-6,9-10,18,21H,2,7-8,11H2.
What are the key properties of 8-[[2-(azetidin-1-yl)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline?
8-[[2-(azetidin-1-yl)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline has a molecular weight of 403.28 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-(azetidin-1-yl)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline is sourced from PubChem (CID 67311113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).