6-methoxy-7-methyl-7,8-dihydro-2H-isoquinolin-1-one

C11H13NO2 — CID 163800894

IUPAC6-methoxy-7-methyl-7,8-dihydro-2H-isoquinolin-1-one
SMILESCOC1=Cc2cc[nH]c(=O)c2CC1C
InChIInChI=1S/C11H13NO2/c1-7-5-9-8(6-10(7)14-2)3-4-12-11(9)13/h3-4,6-7H,5H2,1-2H3,(H,12,13)
InChIKeyNEVVBCKFNNVGFH-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.55
Rot. Bonds1

About 6-methoxy-7-methyl-7,8-dihydro-2H-isoquinolin-1-one

6-methoxy-7-methyl-7,8-dihydro-2H-isoquinolin-1-one (PubChem CID 163800894) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-methoxy-7-methyl-7,8-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-methoxy-7-methyl-7,8-dihydro-2H-isoquinolin-1-one
PubChem CID163800894
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name6-methoxy-7-methyl-7,8-dihydro-2H-isoquinolin-1-one
SMILESCOC1=Cc2cc[nH]c(=O)c2CC1C
InChIInChI=1S/C11H13NO2/c1-7-5-9-8(6-10(7)14-2)3-4-12-11(9)13/h3-4,6-7H,5H2,1-2H3,(H,12,13)
InChIKeyNEVVBCKFNNVGFH-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-7-methyl-5,8-dihydro-2H-isoquinolin-1-one
CID 134987200
7,9a-dihydro-2H-furo[3,2-f]isoquinolin-6-one
CID 87579901
3-(3-methoxy-2-methylpropyl)-1H-pyridin-2-one
CID 123307926
3-(oxetan-3-ylmethyl)-1H-pyridin-2-one
CID 140672169
3-(3-propan-2-yloxypropyl)-1H-pyridin-2-one
CID 141361628
3-(3-ethoxypropyl)-1H-pyridin-2-one
CID 141361631
3-(Tetrahydro-2H-pyran-4-yl)-2(1H)-pyridinone
CID 144279585
6-methoxy-7,8-dihydro-2H-isoquinolin-1-one
CID 164170600
2,3,4,6-Tetrahydropyrano[3,2-c]pyridin-5-one
CID 176697577

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-methyl-7,8-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 6-methoxy-7-methyl-7,8-dihydro-2H-isoquinolin-1-one (CID 163800894) is 6-methoxy-7-methyl-7,8-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 6-methoxy-7-methyl-7,8-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 6-methoxy-7-methyl-7,8-dihydro-2H-isoquinolin-1-one is COC1=Cc2cc[nH]c(=O)c2CC1C.
What is the InChIKey of 6-methoxy-7-methyl-7,8-dihydro-2H-isoquinolin-1-one?
The InChIKey is NEVVBCKFNNVGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-5-9-8(6-10(7)14-2)3-4-12-11(9)13/h3-4,6-7H,5H2,1-2H3,(H,12,13).
What are the key properties of 6-methoxy-7-methyl-7,8-dihydro-2H-isoquinolin-1-one?
6-methoxy-7-methyl-7,8-dihydro-2H-isoquinolin-1-one has a molecular weight of 191.23 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-methyl-7,8-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 163800894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).