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

C22H22N2O — CID 124502145

IUPAC(S)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]-phenylmethanol
SMILESCc1cc(N2CCc3ccccc3C2)ncc1[C@@H](O)c1ccccc1
InChIInChI=1S/C22H22N2O/c1-16-13-21(24-12-11-17-7-5-6-10-19(17)15-24)23-14-20(16)22(25)18-8-3-2-4-9-18/h2-10,13-14,22,25H,11-12,15H2,1H3/t22-/m0/s1
InChIKeyVACZFGWRMSFLDV-QFIPXVFZSA-N
MW330.43 g/mol
LogP4.03
Rot. Bonds3

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

(S)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]-phenylmethanol (PubChem CID 124502145) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is (S)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]-phenylmethanol
PubChem CID124502145
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name(S)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]-phenylmethanol
SMILESCc1cc(N2CCc3ccccc3C2)ncc1[C@@H](O)c1ccccc1
InChIInChI=1S/C22H22N2O/c1-16-13-21(24-12-11-17-7-5-6-10-19(17)15-24)23-14-20(16)22(25)18-8-3-2-4-9-18/h2-10,13-14,22,25H,11-12,15H2,1H3/t22-/m0/s1
InChIKeyVACZFGWRMSFLDV-QFIPXVFZSA-N
XLogP4.03
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(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
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol
CID 102546476
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridine-3-carboxylic acid
CID 102545800
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]ethanol
CID 102545814
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
(R)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanamine
CID 124502664
1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol
CID 102545058
5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
CID 80652373
(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]ethanol
CID 124502655
1-[6-(2,3-dihydroindol-1-yl)-4-methyl-3-pyridinyl]ethanol
CID 102545847
(S)-[6-(dimethylamino)-4-methyl-3-pyridinyl]-phenylmethanol
CID 124501757

Frequently Asked Questions

What is the IUPAC name of (S)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]-phenylmethanol?
The IUPAC name of (S)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]-phenylmethanol (CID 124502145) is (S)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]-phenylmethanol.
What is the SMILES notation for (S)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]-phenylmethanol?
The canonical SMILES for (S)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]-phenylmethanol is Cc1cc(N2CCc3ccccc3C2)ncc1[C@@H](O)c1ccccc1.
What is the InChIKey of (S)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]-phenylmethanol?
The InChIKey is VACZFGWRMSFLDV-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22N2O/c1-16-13-21(24-12-11-17-7-5-6-10-19(17)15-24)23-14-20(16)22(25)18-8-3-2-4-9-18/h2-10,13-14,22,25H,11-12,15H2,1H3/t22-/m0/s1.
What are the key properties of (S)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]-phenylmethanol?
(S)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]-phenylmethanol has a molecular weight of 330.43 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]-phenylmethanol is sourced from PubChem (CID 124502145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).