isoquinolin-4-yl-(2-methoxy-3-pyridinyl)methanol

C16H14N2O2 — CID 105097605

IUPACisoquinolin-4-yl-(2-methoxy-3-pyridinyl)methanol
SMILESCOc1ncccc1C(O)c1cncc2ccccc12
InChIInChI=1S/C16H14N2O2/c1-20-16-13(7-4-8-18-16)15(19)14-10-17-9-11-5-2-3-6-12(11)14/h2-10,15,19H,1H3
InChIKeyCNAAWGAZUXHQOS-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.72
Rot. Bonds3

About isoquinolin-4-yl-(2-methoxy-3-pyridinyl)methanol

isoquinolin-4-yl-(2-methoxy-3-pyridinyl)methanol (PubChem CID 105097605) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is isoquinolin-4-yl-(2-methoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Nameisoquinolin-4-yl-(2-methoxy-3-pyridinyl)methanol
PubChem CID105097605
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Nameisoquinolin-4-yl-(2-methoxy-3-pyridinyl)methanol
SMILESCOc1ncccc1C(O)c1cncc2ccccc12
InChIInChI=1S/C16H14N2O2/c1-20-16-13(7-4-8-18-16)15(19)14-10-17-9-11-5-2-3-6-12(11)14/h2-10,15,19H,1H3
InChIKeyCNAAWGAZUXHQOS-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

(2-methoxy-3-pyridinyl)-quinolin-3-ylmethanol
CID 105079345
(4-methoxyphenyl)-(2-methoxy-3-pyridinyl)methanol
CID 22934973
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
(2,3-difluorophenyl)-isoquinolin-4-ylmethanol
CID 63939378
(2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol
CID 105097633
(2-methoxy-3-pyridinyl)-(2-propoxyphenyl)methanol
CID 105125991
isoquinolin-4-yl-(4-methoxy-3-methylphenyl)methanol
CID 63940924
1-isoquinolin-4-yl-2-methoxyethanol
CID 63940937
(2,5-dimethylphenyl)-(2-methoxy-3-pyridinyl)methanol
CID 113230061
isoquinolin-4-yl(pyrimidin-5-yl)methanol
CID 104504669
1-isoquinolin-4-yl-2-methoxy-2-methylpropan-1-ol
CID 79197515
(2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 105128734

Frequently Asked Questions

What is the IUPAC name of isoquinolin-4-yl-(2-methoxy-3-pyridinyl)methanol?
The IUPAC name of isoquinolin-4-yl-(2-methoxy-3-pyridinyl)methanol (CID 105097605) is isoquinolin-4-yl-(2-methoxy-3-pyridinyl)methanol.
What is the SMILES notation for isoquinolin-4-yl-(2-methoxy-3-pyridinyl)methanol?
The canonical SMILES for isoquinolin-4-yl-(2-methoxy-3-pyridinyl)methanol is COc1ncccc1C(O)c1cncc2ccccc12.
What is the InChIKey of isoquinolin-4-yl-(2-methoxy-3-pyridinyl)methanol?
The InChIKey is CNAAWGAZUXHQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-16-13(7-4-8-18-16)15(19)14-10-17-9-11-5-2-3-6-12(11)14/h2-10,15,19H,1H3.
What are the key properties of isoquinolin-4-yl-(2-methoxy-3-pyridinyl)methanol?
isoquinolin-4-yl-(2-methoxy-3-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-4-yl-(2-methoxy-3-pyridinyl)methanol is sourced from PubChem (CID 105097605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).