1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol

C16H19NOS — CID 114337680

IUPAC1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESCCc1ccc(CN2CCC(O)c3ccccc32)s1
InChIInChI=1S/C16H19NOS/c1-2-12-7-8-13(19-12)11-17-10-9-16(18)14-5-3-4-6-15(14)17/h3-8,16,18H,2,9-11H2,1H3
InChIKeyQEDYSENEZQCZFZ-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.75
Rot. Bonds3

About 1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol

1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 114337680) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
PubChem CID114337680
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESCCc1ccc(CN2CCC(O)c3ccccc32)s1
InChIInChI=1S/C16H19NOS/c1-2-12-7-8-13(19-12)11-17-10-9-16(18)14-5-3-4-6-15(14)17/h3-8,16,18H,2,9-11H2,1H3
InChIKeyQEDYSENEZQCZFZ-UHFFFAOYSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3,4-dihydro-2H-quinolin-4-ol
CID 114337756
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337641
1-[(3,4-dimethylphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337768
1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337590
2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile
CID 114337618
1-(2-methylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337617
1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337638
1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 106460180
1-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 102880144
1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 103144081
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337790
1-[3-(dimethylamino)propyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114526948

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol (CID 114337680) is 1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol is CCc1ccc(CN2CCC(O)c3ccccc32)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is QEDYSENEZQCZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-2-12-7-8-13(19-12)11-17-10-9-16(18)14-5-3-4-6-15(14)17/h3-8,16,18H,2,9-11H2,1H3.
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol?
1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 273.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 114337680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).