(3-methoxyisoquinolin-7-yl)methanol

C11H11NO2 — CID 126675662

IUPAC(3-methoxyisoquinolin-7-yl)methanol
SMILESCOc1cc2ccc(CO)cc2cn1
InChIInChI=1S/C11H11NO2/c1-14-11-5-9-3-2-8(7-13)4-10(9)6-12-11/h2-6,13H,7H2,1H3
InChIKeyQMWCYIIUPVXQMD-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.74
Rot. Bonds2

About (3-methoxyisoquinolin-7-yl)methanol

(3-methoxyisoquinolin-7-yl)methanol (PubChem CID 126675662) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (3-methoxyisoquinolin-7-yl)methanol.

Molecular Properties

Compound Name(3-methoxyisoquinolin-7-yl)methanol
PubChem CID126675662
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(3-methoxyisoquinolin-7-yl)methanol
SMILESCOc1cc2ccc(CO)cc2cn1
InChIInChI=1S/C11H11NO2/c1-14-11-5-9-3-2-8(7-13)4-10(9)6-12-11/h2-6,13H,7H2,1H3
InChIKeyQMWCYIIUPVXQMD-UHFFFAOYSA-N
XLogP1.74
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-3-methoxyisoquinoline
CID 67491766
manganese;(2-methoxyquinolin-6-yl)methanol
CID 153439798
[6-(hydroxymethyl)naphthalen-2-yl]methanol
CID 11788722
methyl 3-methoxyisoquinoline-7-carboxylate
CID 126676671
phthalazin-6-ylmethanol
CID 21134815
6-bromo-3-methoxyisoquinoline
CID 67491807
(7-methoxyisoquinolin-3-yl)methanol
CID 133056400
(4-methoxyphenyl)methanol
CID 7738
1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-(hydroxymethyl)phenyl]-2-methylpropan-1-ol
CID 91319791
(2-methylquinazolin-6-yl)methanol
CID 58506565
naphthalen-2-ylmethanol;trimethyl(trimethylsilyloxy)silane
CID 18769162
(2-methylquinazolin-7-yl)methanol
CID 171089599

Frequently Asked Questions

What is the IUPAC name of (3-methoxyisoquinolin-7-yl)methanol?
The IUPAC name of (3-methoxyisoquinolin-7-yl)methanol (CID 126675662) is (3-methoxyisoquinolin-7-yl)methanol.
What is the SMILES notation for (3-methoxyisoquinolin-7-yl)methanol?
The canonical SMILES for (3-methoxyisoquinolin-7-yl)methanol is COc1cc2ccc(CO)cc2cn1.
What is the InChIKey of (3-methoxyisoquinolin-7-yl)methanol?
The InChIKey is QMWCYIIUPVXQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-14-11-5-9-3-2-8(7-13)4-10(9)6-12-11/h2-6,13H,7H2,1H3.
What are the key properties of (3-methoxyisoquinolin-7-yl)methanol?
(3-methoxyisoquinolin-7-yl)methanol has a molecular weight of 189.21 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyisoquinolin-7-yl)methanol is sourced from PubChem (CID 126675662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).