2-[3-amino-6-(fluoromethoxy)quinolin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

C21H20FN3O2S — CID 70839208

IUPAC2-[3-amino-6-(fluoromethoxy)quinolin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESNc1cc2cc(OCF)ccc2nc1SCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H20FN3O2S/c22-13-27-16-7-8-18-15(10-16)11-17(23)21(24-18)28-12-20(26)25-9-3-5-14-4-1-2-6-19(14)25/h1-2,4,6-8,10-11H,3,5,9,12-13,23H2
InChIKeyHJJQHPDNWQTVJG-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.19
Rot. Bonds5

About 2-[3-amino-6-(fluoromethoxy)quinolin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

2-[3-amino-6-(fluoromethoxy)quinolin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 70839208) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[3-amino-6-(fluoromethoxy)quinolin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-amino-6-(fluoromethoxy)quinolin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID70839208
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC Name2-[3-amino-6-(fluoromethoxy)quinolin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESNc1cc2cc(OCF)ccc2nc1SCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C21H20FN3O2S/c22-13-27-16-7-8-18-15(10-16)11-17(23)21(24-18)28-12-20(26)25-9-3-5-14-4-1-2-6-19(14)25/h1-2,4,6-8,10-11H,3,5,9,12-13,23H2
InChIKeyHJJQHPDNWQTVJG-UHFFFAOYSA-N
XLogP4.19
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-amino-6-(fluoromethoxy)quinolin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3,6-dimethylquinolin-2-yl)sulfanylethanone
CID 1143736
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone
CID 3476595
4-amino-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135431927
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone
CID 59467896
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3,5,8-trimethylquinolin-2-yl)sulfanylethanone
CID 1169557
2-(3-aminopyrazin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 106678772
4-amino-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile
CID 855484
1-(3,4-dihydro-2H-quinolin-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 2707962
2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 57328936
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 42294873

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(fluoromethoxy)quinolin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[3-amino-6-(fluoromethoxy)quinolin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 70839208) is 2-[3-amino-6-(fluoromethoxy)quinolin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[3-amino-6-(fluoromethoxy)quinolin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[3-amino-6-(fluoromethoxy)quinolin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is Nc1cc2cc(OCF)ccc2nc1SCC(=O)N1CCCc2ccccc21.
What is the InChIKey of 2-[3-amino-6-(fluoromethoxy)quinolin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is HJJQHPDNWQTVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c22-13-27-16-7-8-18-15(10-16)11-17(23)21(24-18)28-12-20(26)25-9-3-5-14-4-1-2-6-19(14)25/h1-2,4,6-8,10-11H,3,5,9,12-13,23H2.
What are the key properties of 2-[3-amino-6-(fluoromethoxy)quinolin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[3-amino-6-(fluoromethoxy)quinolin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 397.48 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(fluoromethoxy)quinolin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 70839208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).