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

C15H16N2O — CID 106768440

IUPAC[1-(3,6-dihydro-2H-pyridin-1-yl)isoquinolin-4-yl]methanol
SMILESOCc1cnc(N2CC=CCC2)c2ccccc12
InChIInChI=1S/C15H16N2O/c18-11-12-10-16-15(17-8-4-1-5-9-17)14-7-3-2-6-13(12)14/h1-4,6-7,10,18H,5,8-9,11H2
InChIKeyQVKVKMIOCXMWQG-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.49
Rot. Bonds2

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

[1-(3,6-dihydro-2H-pyridin-1-yl)isoquinolin-4-yl]methanol (PubChem CID 106768440) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is [1-(3,6-dihydro-2H-pyridin-1-yl)isoquinolin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3,6-dihydro-2H-pyridin-1-yl)isoquinolin-4-yl]methanol
PubChem CID106768440
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name[1-(3,6-dihydro-2H-pyridin-1-yl)isoquinolin-4-yl]methanol
SMILESOCc1cnc(N2CC=CCC2)c2ccccc12
InChIInChI=1S/C15H16N2O/c18-11-12-10-16-15(17-8-4-1-5-9-17)14-7-3-2-6-13(12)14/h1-4,6-7,10,18H,5,8-9,11H2
InChIKeyQVKVKMIOCXMWQG-UHFFFAOYSA-N
XLogP2.49
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(3,6-dihydro-2H-pyridin-1-yl)isoquinolin-4-yl]methanol?
The IUPAC name of [1-(3,6-dihydro-2H-pyridin-1-yl)isoquinolin-4-yl]methanol (CID 106768440) is [1-(3,6-dihydro-2H-pyridin-1-yl)isoquinolin-4-yl]methanol.
What is the SMILES notation for [1-(3,6-dihydro-2H-pyridin-1-yl)isoquinolin-4-yl]methanol?
The canonical SMILES for [1-(3,6-dihydro-2H-pyridin-1-yl)isoquinolin-4-yl]methanol is OCc1cnc(N2CC=CCC2)c2ccccc12.
What is the InChIKey of [1-(3,6-dihydro-2H-pyridin-1-yl)isoquinolin-4-yl]methanol?
The InChIKey is QVKVKMIOCXMWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-11-12-10-16-15(17-8-4-1-5-9-17)14-7-3-2-6-13(12)14/h1-4,6-7,10,18H,5,8-9,11H2.
What are the key properties of [1-(3,6-dihydro-2H-pyridin-1-yl)isoquinolin-4-yl]methanol?
[1-(3,6-dihydro-2H-pyridin-1-yl)isoquinolin-4-yl]methanol has a molecular weight of 240.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,6-dihydro-2H-pyridin-1-yl)isoquinolin-4-yl]methanol is sourced from PubChem (CID 106768440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).