(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone

C15H15NO2S — CID 79807986

IUPAC(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone
SMILESCc1cscc1C(=O)N1CCCc2cccc(O)c21
InChIInChI=1S/C15H15NO2S/c1-10-8-19-9-12(10)15(18)16-7-3-5-11-4-2-6-13(17)14(11)16/h2,4,6,8-9,17H,3,5,7H2,1H3
InChIKeyAALJZEKJLOUZEH-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.36
Rot. Bonds1

About (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone

(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone (PubChem CID 79807986) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone
PubChem CID79807986
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone
SMILESCc1cscc1C(=O)N1CCCc2cccc(O)c21
InChIInChI=1S/C15H15NO2S/c1-10-8-19-9-12(10)15(18)16-7-3-5-11-4-2-6-13(17)14(11)16/h2,4,6,8-9,17H,3,5,7H2,1H3
InChIKeyAALJZEKJLOUZEH-UHFFFAOYSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-2-methylphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115970106
(2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106502280
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 15267724
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone
CID 82707193
(4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63215264
(5-bromo-2-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63214927
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
CID 63215592
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 106741641
(5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61290980
N,N-diethyl-8-hydroxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 79161867
2,3-dihydro-1,4-dioxin-5-yl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63215456
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 66156167

Frequently Asked Questions

What is the IUPAC name of (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone?
The IUPAC name of (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone (CID 79807986) is (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone.
What is the SMILES notation for (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone?
The canonical SMILES for (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone is Cc1cscc1C(=O)N1CCCc2cccc(O)c21.
What is the InChIKey of (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone?
The InChIKey is AALJZEKJLOUZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-10-8-19-9-12(10)15(18)16-7-3-5-11-4-2-6-13(17)14(11)16/h2,4,6,8-9,17H,3,5,7H2,1H3.
What are the key properties of (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone?
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone has a molecular weight of 273.36 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone is sourced from PubChem (CID 79807986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).