methane;6-methoxy-2H-isoquinolin-1-one

C11H13NO2 — CID 143675508

IUPACmethane;6-methoxy-2H-isoquinolin-1-one
SMILESC.COc1ccc2c(=O)[nH]ccc2c1
InChIInChI=1S/C10H9NO2.CH4/c1-13-8-2-3-9-7(6-8)4-5-11-10(9)12;/h2-6H,1H3,(H,11,12);1H4
InChIKeyWWJOPANKUZCSGZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.17
Rot. Bonds1

About methane;6-methoxy-2H-isoquinolin-1-one

methane;6-methoxy-2H-isoquinolin-1-one (PubChem CID 143675508) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methane;6-methoxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Namemethane;6-methoxy-2H-isoquinolin-1-one
PubChem CID143675508
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethane;6-methoxy-2H-isoquinolin-1-one
SMILESC.COc1ccc2c(=O)[nH]ccc2c1
InChIInChI=1S/C10H9NO2.CH4/c1-13-8-2-3-9-7(6-8)4-5-11-10(9)12;/h2-6H,1H3,(H,11,12);1H4
InChIKeyWWJOPANKUZCSGZ-UHFFFAOYSA-N
XLogP2.17
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[2-(2-methoxyethoxy)ethoxy]-2H-isoquinolin-1-one
CID 18452922
6-[2-(3-methoxyphenoxy)ethyl]-2H-isoquinolin-1-one
CID 70719567
ethane;6-methyl-2H-isoquinolin-1-one
CID 142940504
methyl 3-[(1-oxo-2H-isoquinolin-6-yl)oxy]benzoate
CID 142426828
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
6-propan-2-yl-2H-isoquinolin-1-one
CID 59592914
6-(dimethylamino)-2H-isoquinolin-1-one
CID 57424142
2-(4-methoxyphenyl)-6H-1,6-naphthyridin-5-one
CID 161186979
6-methylsulfonyl-2H-isoquinolin-1-one
CID 42609186
3-(dimethylamino)-6-methoxy-2H-isoquinolin-1-one
CID 12608911
7-tert-butyl-6-methoxy-2H-isoquinolin-1-one
CID 82276331
6-pentan-3-yl-2H-isoquinolin-1-one
CID 67475495

Frequently Asked Questions

What is the IUPAC name of methane;6-methoxy-2H-isoquinolin-1-one?
The IUPAC name of methane;6-methoxy-2H-isoquinolin-1-one (CID 143675508) is methane;6-methoxy-2H-isoquinolin-1-one.
What is the SMILES notation for methane;6-methoxy-2H-isoquinolin-1-one?
The canonical SMILES for methane;6-methoxy-2H-isoquinolin-1-one is C.COc1ccc2c(=O)[nH]ccc2c1.
What is the InChIKey of methane;6-methoxy-2H-isoquinolin-1-one?
The InChIKey is WWJOPANKUZCSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.CH4/c1-13-8-2-3-9-7(6-8)4-5-11-10(9)12;/h2-6H,1H3,(H,11,12);1H4.
What are the key properties of methane;6-methoxy-2H-isoquinolin-1-one?
methane;6-methoxy-2H-isoquinolin-1-one has a molecular weight of 191.23 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-methoxy-2H-isoquinolin-1-one is sourced from PubChem (CID 143675508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).