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

C18H22N2O — CID 124502142

IUPAC(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1cnc(N2CCc3ccccc3C2)cc1C
InChIInChI=1S/C18H22N2O/c1-3-17(21)16-11-19-18(10-13(16)2)20-9-8-14-6-4-5-7-15(14)12-20/h4-7,10-11,17,21H,3,8-9,12H2,1-2H3/t17-/m0/s1
InChIKeySPAGAFJPQUVJGJ-KRWDZBQOSA-N
MW282.39 g/mol
LogP3.40
Rot. Bonds3

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

(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]propan-1-ol (PubChem CID 124502142) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]propan-1-ol
PubChem CID124502142
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1cnc(N2CCc3ccccc3C2)cc1C
InChIInChI=1S/C18H22N2O/c1-3-17(21)16-11-19-18(10-13(16)2)20-9-8-14-6-4-5-7-15(14)12-20/h4-7,10-11,17,21H,3,8-9,12H2,1-2H3/t17-/m0/s1
InChIKeySPAGAFJPQUVJGJ-KRWDZBQOSA-N
XLogP3.40
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol
CID 124502141
(S)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]-phenylmethanol
CID 124502145
1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol
CID 102545058
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol
CID 102545814
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]propan-1-ol
CID 102545827
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid
CID 102545800
1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone
CID 124502067
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
(1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol
CID 103960202
N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112855480
N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine
CID 114925111
(1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol
CID 103938818

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]propan-1-ol (CID 124502142) is (1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]propan-1-ol is CC[C@H](O)c1cnc(N2CCc3ccccc3C2)cc1C.
What is the InChIKey of (1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]propan-1-ol?
The InChIKey is SPAGAFJPQUVJGJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-17(21)16-11-19-18(10-13(16)2)20-9-8-14-6-4-5-7-15(14)12-20/h4-7,10-11,17,21H,3,8-9,12H2,1-2H3/t17-/m0/s1.
What are the key properties of (1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]propan-1-ol?
(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]propan-1-ol has a molecular weight of 282.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 124502142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).