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

C22H22N2O — CID 102546476

IUPAC[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol
SMILESCc1nc(N2CCc3ccccc3C2)ccc1C(O)c1ccccc1
InChIInChI=1S/C22H22N2O/c1-16-20(22(25)18-8-3-2-4-9-18)11-12-21(23-16)24-14-13-17-7-5-6-10-19(17)15-24/h2-12,22,25H,13-15H2,1H3
InChIKeySXDABTYZAYPVCX-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.03
Rot. Bonds3

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

[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol (PubChem CID 102546476) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol.

Molecular Properties

Compound Name[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol
PubChem CID102546476
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol
SMILESCc1nc(N2CCc3ccccc3C2)ccc1C(O)c1ccccc1
InChIInChI=1S/C22H22N2O/c1-16-20(22(25)18-8-3-2-4-9-18)11-12-21(23-16)24-14-13-17-7-5-6-10-19(17)15-24/h2-12,22,25H,13-15H2,1H3
InChIKeySXDABTYZAYPVCX-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol?
The IUPAC name of [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol (CID 102546476) is [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol.
What is the SMILES notation for [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol?
The canonical SMILES for [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol is Cc1nc(N2CCc3ccccc3C2)ccc1C(O)c1ccccc1.
What is the InChIKey of [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol?
The InChIKey is SXDABTYZAYPVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-16-20(22(25)18-8-3-2-4-9-18)11-12-21(23-16)24-14-13-17-7-5-6-10-19(17)15-24/h2-12,22,25H,13-15H2,1H3.
What are the key properties of [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol?
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-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 [6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol is sourced from PubChem (CID 102546476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).