ethane;1-methoxy-5-methyl-2H-isoquinolin-3-one

C15H23NO2 — CID 143957077

IUPACethane;1-methoxy-5-methyl-2H-isoquinolin-3-one
SMILESCC.CC.COc1[nH]c(=O)cc2c(C)cccc12
InChIInChI=1S/C11H11NO2.2C2H6/c1-7-4-3-5-8-9(7)6-10(13)12-11(8)14-2;2*1-2/h3-6H,1-2H3,(H,12,13);2*1-2H3
InChIKeyTUGBKWXIRLZXSH-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.90
Rot. Bonds1

About ethane;1-methoxy-5-methyl-2H-isoquinolin-3-one

ethane;1-methoxy-5-methyl-2H-isoquinolin-3-one (PubChem CID 143957077) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethane;1-methoxy-5-methyl-2H-isoquinolin-3-one.

Molecular Properties

Compound Nameethane;1-methoxy-5-methyl-2H-isoquinolin-3-one
PubChem CID143957077
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethane;1-methoxy-5-methyl-2H-isoquinolin-3-one
SMILESCC.CC.COc1[nH]c(=O)cc2c(C)cccc12
InChIInChI=1S/C11H11NO2.2C2H6/c1-7-4-3-5-8-9(7)6-10(13)12-11(8)14-2;2*1-2/h3-6H,1-2H3,(H,12,13);2*1-2H3
InChIKeyTUGBKWXIRLZXSH-UHFFFAOYSA-N
XLogP3.90
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-8-fluoro-2H-isoquinolin-3-one
CID 138974315
1-ethoxy-7-fluoro-2H-isoquinolin-3-one
CID 138974695
1-ethoxy-6-(trifluoromethyl)-2H-isoquinolin-3-one
CID 138975128
Pyrano[2,3-b]pyridine, 3,4-dihydro-7-hydroxy-5-methyl-
CID 171384690
1-methoxy-2H-isoquinolin-3-one
CID 126737660
6-bromo-1-ethoxy-2H-isoquinolin-3-one
CID 138974387
6-chloro-1-ethoxy-2H-isoquinolin-3-one
CID 138974970
5-but-3-enyl-6-methoxy-1H-pyridin-2-one
CID 164674208
1-ethoxy-2H-isoquinolin-3-one
CID 168330143
1-hydroxy-5-methyl-2H-isoquinolin-3-one
CID 20579033
3-methyl-8H-pyrano[2,3-b]pyridine-4,7-dione
CID 23158234
6-methoxy-5-propan-2-yl-1H-pyridin-2-one
CID 23595041

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-5-methyl-2H-isoquinolin-3-one?
The IUPAC name of ethane;1-methoxy-5-methyl-2H-isoquinolin-3-one (CID 143957077) is ethane;1-methoxy-5-methyl-2H-isoquinolin-3-one.
What is the SMILES notation for ethane;1-methoxy-5-methyl-2H-isoquinolin-3-one?
The canonical SMILES for ethane;1-methoxy-5-methyl-2H-isoquinolin-3-one is CC.CC.COc1[nH]c(=O)cc2c(C)cccc12.
What is the InChIKey of ethane;1-methoxy-5-methyl-2H-isoquinolin-3-one?
The InChIKey is TUGBKWXIRLZXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.2C2H6/c1-7-4-3-5-8-9(7)6-10(13)12-11(8)14-2;2*1-2/h3-6H,1-2H3,(H,12,13);2*1-2H3.
What are the key properties of ethane;1-methoxy-5-methyl-2H-isoquinolin-3-one?
ethane;1-methoxy-5-methyl-2H-isoquinolin-3-one has a molecular weight of 249.35 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-5-methyl-2H-isoquinolin-3-one is sourced from PubChem (CID 143957077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).