isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol

C16H14N2O2 — CID 103139118

IUPACisoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol
SMILESCOc1cnccc1C(O)c1cccc2ccncc12
InChIInChI=1S/C16H14N2O2/c1-20-15-10-18-8-6-13(15)16(19)12-4-2-3-11-5-7-17-9-14(11)12/h2-10,16,19H,1H3
InChIKeyDEUVTVPTABHCRG-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.72
Rot. Bonds3

About isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol

isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol (PubChem CID 103139118) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol.

Molecular Properties

Compound Nameisoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol
PubChem CID103139118
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Nameisoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol
SMILESCOc1cnccc1C(O)c1cccc2ccncc12
InChIInChI=1S/C16H14N2O2/c1-20-15-10-18-8-6-13(15)16(19)12-4-2-3-11-5-7-17-9-14(11)12/h2-10,16,19H,1H3
InChIKeyDEUVTVPTABHCRG-UHFFFAOYSA-N
XLogP2.72
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxy-4-pyridinyl)-quinolin-5-ylmethanol
CID 105066393
(3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol
CID 103138898
(2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol
CID 103139035
(4-chlorophenyl)-isoquinolin-8-ylmethanol
CID 103139329
1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol
CID 103139145
(5-fluoro-2-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139004
(3-methoxy-2-pyridinyl)-(3-methoxy-4-pyridinyl)methanol
CID 114054869
2-(3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066229
isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol
CID 103143046
(3,5-dichlorophenyl)-isoquinolin-8-ylmethanol
CID 103139219
(2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol
CID 107969985
(4-cyclopropylphenyl)-isoquinolin-8-ylmethanol
CID 103142969

Frequently Asked Questions

What is the IUPAC name of isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol?
The IUPAC name of isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol (CID 103139118) is isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol.
What is the SMILES notation for isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol?
The canonical SMILES for isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol is COc1cnccc1C(O)c1cccc2ccncc12.
What is the InChIKey of isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol?
The InChIKey is DEUVTVPTABHCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-15-10-18-8-6-13(15)16(19)12-4-2-3-11-5-7-17-9-14(11)12/h2-10,16,19H,1H3.
What are the key properties of isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol?
isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol has a molecular weight of 266.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol is sourced from PubChem (CID 103139118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).