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

C16H18N2O — CID 79884530

IUPAC[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol
SMILESCc1nc(N2CCc3ccccc3C2)ccc1CO
InChIInChI=1S/C16H18N2O/c1-12-15(11-19)6-7-16(17-12)18-9-8-13-4-2-3-5-14(13)10-18/h2-7,19H,8-11H2,1H3
InChIKeyXVBVAUKIWAMGCP-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.45
Rot. Bonds2

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

[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol (PubChem CID 79884530) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol
PubChem CID79884530
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol
SMILESCc1nc(N2CCc3ccccc3C2)ccc1CO
InChIInChI=1S/C16H18N2O/c1-12-15(11-19)6-7-16(17-12)18-9-8-13-4-2-3-5-14(13)10-18/h2-7,19H,8-11H2,1H3
InChIKeyXVBVAUKIWAMGCP-UHFFFAOYSA-N
XLogP2.45
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanamine
CID 79884708
(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol
CID 124502655
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde
CID 102546467
(1R)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanamine
CID 124502660
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol
CID 102546476
[2-methyl-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanol
CID 106316371
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanone
CID 102546473
(R)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanamine
CID 124502664
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol
CID 102545814
1-[5-(hydroxymethyl)-6-methyl-2-pyridinyl]-3-methylpiperidin-4-ol
CID 114681019
2-[6-(2,3-dihydroindol-1-yl)-2-methyl-3-pyridinyl]ethanol
CID 102546514
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 61252617

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol?
The IUPAC name of [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol (CID 79884530) is [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol?
The canonical SMILES for [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol is Cc1nc(N2CCc3ccccc3C2)ccc1CO.
What is the InChIKey of [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol?
The InChIKey is XVBVAUKIWAMGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-15(11-19)6-7-16(17-12)18-9-8-13-4-2-3-5-14(13)10-18/h2-7,19H,8-11H2,1H3.
What are the key properties of [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol?
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol has a molecular weight of 254.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 79884530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).