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

C17H20N2O — CID 61252617

IUPAC[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(N2CCc3ccccc3C2)n1
InChIInChI=1S/C17H20N2O/c1-12-9-13(2)18-17(16(12)11-20)19-8-7-14-5-3-4-6-15(14)10-19/h3-6,9,20H,7-8,10-11H2,1-2H3
InChIKeyHWAJFZAWXHJTJH-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.75
Rot. Bonds2

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

[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol (PubChem CID 61252617) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is [2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol
PubChem CID61252617
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(N2CCc3ccccc3C2)n1
InChIInChI=1S/C17H20N2O/c1-12-9-13(2)18-17(16(12)11-20)19-8-7-14-5-3-4-6-15(14)10-19/h3-6,9,20H,7-8,10-11H2,1-2H3
InChIKeyHWAJFZAWXHJTJH-UHFFFAOYSA-N
XLogP2.75
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[2-(3,4-dihydro-2H-quinolin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 61256015
[2-(3-ethylpyrrolidin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 113418483
[4,6-dimethyl-2-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]methanol
CID 61252422
4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 63192669
[2-(4-cyclopropylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 61445464
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol
CID 79884530
7-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(hydroxymethyl)-2-methyl-1-prop-2-enylpyrrolo[2,3-c]pyridine-5-carbonitrile
CID 67141219
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 61255839
[2-(3,4-dimethylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 55218131
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridin-3-amine
CID 62476681
[2-(2,2-dimethylmorpholin-4-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 61257909
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile
CID 102545053

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol?
The IUPAC name of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol (CID 61252617) is [2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol.
What is the SMILES notation for [2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol?
The canonical SMILES for [2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol is Cc1cc(C)c(CO)c(N2CCc3ccccc3C2)n1.
What is the InChIKey of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol?
The InChIKey is HWAJFZAWXHJTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-9-13(2)18-17(16(12)11-20)19-8-7-14-5-3-4-6-15(14)10-19/h3-6,9,20H,7-8,10-11H2,1-2H3.
What are the key properties of [2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol?
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol has a molecular weight of 268.36 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol is sourced from PubChem (CID 61252617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).