2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol

C17H20N2O — CID 102545814

IUPAC2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol
SMILESCc1cc(N2CCc3ccccc3C2)ncc1CCO
InChIInChI=1S/C17H20N2O/c1-13-10-17(18-11-15(13)7-9-20)19-8-6-14-4-2-3-5-16(14)12-19/h2-5,10-11,20H,6-9,12H2,1H3
InChIKeyFZJJRAYUWOXHIX-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.49
Rot. Bonds3

About 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol

2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol (PubChem CID 102545814) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol
PubChem CID102545814
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol
SMILESCc1cc(N2CCc3ccccc3C2)ncc1CCO
InChIInChI=1S/C17H20N2O/c1-13-10-17(18-11-15(13)7-9-20)19-8-6-14-4-2-3-5-16(14)12-19/h2-5,10-11,20H,6-9,12H2,1H3
InChIKeyFZJJRAYUWOXHIX-UHFFFAOYSA-N
XLogP2.49
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol with MolForge

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid
CID 102545800
(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol
CID 124502141
(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]propan-1-ol
CID 124502142
2-[6-(azepan-1-yl)-4-methyl-3-pyridinyl]ethanol
CID 102545544
(S)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]-phenylmethanol
CID 124502145
N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine
CID 114925111
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol
CID 79884530
2-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112858045
5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
CID 80652373
2-[5-(chloromethyl)pyrazin-2-yl]-3,4-dihydro-1H-isoquinoline
CID 107373295
[6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]methanol
CID 102545819

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol?
The IUPAC name of 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol (CID 102545814) is 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol.
What is the SMILES notation for 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol?
The canonical SMILES for 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol is Cc1cc(N2CCc3ccccc3C2)ncc1CCO.
What is the InChIKey of 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol?
The InChIKey is FZJJRAYUWOXHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-10-17(18-11-15(13)7-9-20)19-8-6-14-4-2-3-5-16(14)12-19/h2-5,10-11,20H,6-9,12H2,1H3.
What are the key properties of 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol?
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol has a molecular weight of 268.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol is sourced from PubChem (CID 102545814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).