1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol

C18H22N2O — CID 102545058

IUPAC1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol
SMILESCCC(O)c1cnc(N2CCc3ccccc3C2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-3-17(21)16-10-13(2)18(19-11-16)20-9-8-14-6-4-5-7-15(14)12-20/h4-7,10-11,17,21H,3,8-9,12H2,1-2H3
InChIKeyVJUVVCCDLACGIG-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.40
Rot. Bonds3

About 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol

1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol (PubChem CID 102545058) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol
PubChem CID102545058
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol
SMILESCCC(O)c1cnc(N2CCc3ccccc3C2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-3-17(21)16-10-13(2)18(19-11-16)20-9-8-14-6-4-5-7-15(14)12-20/h4-7,10-11,17,21H,3,8-9,12H2,1-2H3
InChIKeyVJUVVCCDLACGIG-UHFFFAOYSA-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 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol with MolForge

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Related Compounds

(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]propan-1-ol
CID 124502142
(1R)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-3-pyridinyl]propan-1-ol
CID 124501642
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridin-3-amine
CID 62476681
1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-2-amine
CID 80638539
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile
CID 102545053
3-[5-(chloromethyl)-3-methyl-2-pyridinyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 80628870
(1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol
CID 103938818
(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
N-methyl-1-[5-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methanamine
CID 80637891
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133407195
N-[[6-(1,3-dihydroisoindol-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80635931

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol?
The IUPAC name of 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol (CID 102545058) is 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol is CCC(O)c1cnc(N2CCc3ccccc3C2)c(C)c1.
What is the InChIKey of 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol?
The InChIKey is VJUVVCCDLACGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-17(21)16-10-13(2)18(19-11-16)20-9-8-14-6-4-5-7-15(14)12-20/h4-7,10-11,17,21H,3,8-9,12H2,1-2H3.
What are the key properties of 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol?
1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-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 1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 102545058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).