3,4-dihydro-2H-quinolin-1-yl-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone

C22H22FN3OS — CID 90609763

IUPAC3,4-dihydro-2H-quinolin-1-yl-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nc3ccc(F)cc3s2)CC1)N1CCCc2ccccc21
InChIInChI=1S/C22H22FN3OS/c23-17-7-8-18-20(14-17)28-22(24-18)25-12-9-16(10-13-25)21(27)26-11-3-5-15-4-1-2-6-19(15)26/h1-2,4,6-8,14,16H,3,5,9-13H2
InChIKeyXPVDVUDYFCHKLY-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.63
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone (PubChem CID 90609763) has the molecular formula C22H22FN3OS and a molecular weight of 395.50 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
PubChem CID90609763
Molecular FormulaC22H22FN3OS
Molecular Weight395.50 g/mol
Exact Mass395.15
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nc3ccc(F)cc3s2)CC1)N1CCCc2ccccc21
InChIInChI=1S/C22H22FN3OS/c23-17-7-8-18-20(14-17)28-22(24-18)25-12-9-16(10-13-25)21(27)26-11-3-5-15-4-1-2-6-19(15)26/h1-2,4,6-8,14,16H,3,5,9-13H2
InChIKeyXPVDVUDYFCHKLY-UHFFFAOYSA-N
XLogP4.63
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-2H-quinolin-1-yl-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone with MolForge

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Related Compounds

[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 90609321
[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 90604006
[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 90609863
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 90609783
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 90609789
[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 90609854
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 16590198
[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 90609862
N-(6-chloro-3-pyridinyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609907
3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone
CID 121127918
methyl 4-[[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate
CID 90609797
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone (CID 90609763) is 3,4-dihydro-2H-quinolin-1-yl-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2nc3ccc(F)cc3s2)CC1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone?
The InChIKey is XPVDVUDYFCHKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3OS/c23-17-7-8-18-20(14-17)28-22(24-18)25-12-9-16(10-13-25)21(27)26-11-3-5-15-4-1-2-6-19(15)26/h1-2,4,6-8,14,16H,3,5,9-13H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone has a molecular weight of 395.50 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 90609763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).