8-methoxy-3,4-dihydro-2H-isoquinolin-1-one

C10H11NO2 — CID 12950745

IUPAC8-methoxy-3,4-dihydro-2H-isoquinolin-1-one
SMILESCOc1cccc2c1C(=O)NCC2
InChIInChI=1S/C10H11NO2/c1-13-8-4-2-3-7-5-6-11-10(12)9(7)8/h2-4H,5-6H2,1H3,(H,11,12)
InChIKeyRBGJBRPKCUAHJQ-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.98
Rot. Bonds1

About 8-methoxy-3,4-dihydro-2H-isoquinolin-1-one

8-methoxy-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 12950745) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 8-methoxy-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name8-methoxy-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID12950745
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name8-methoxy-3,4-dihydro-2H-isoquinolin-1-one
SMILESCOc1cccc2c1C(=O)NCC2
InChIInChI=1S/C10H11NO2/c1-13-8-4-2-3-7-5-6-11-10(12)9(7)8/h2-4H,5-6H2,1H3,(H,11,12)
InChIKeyRBGJBRPKCUAHJQ-UHFFFAOYSA-N
XLogP0.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone
CID 9948349
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
CID 44270882
N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxybenzamide
CID 2252719
2-(5-Methyl-4-oxo-2H-1,3-benzoxazin-3(4H)-yl)ethyl nitrate
CID 584209
2-Methoxy-N-(phenylmethyl)benzamide
CID 700577
8-Methoxy-1,2,3,4-tetrahydroisoquinoline
CID 12950747
7-Methoxy-3,4-dihydroisoquinolin-1(2H)-one
CID 13521672
1,11b-Dihydro-[2h]benzopyrano[4,3,2-de]isoquinolin-3-one
CID 9881187
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-2-(tritritiomethoxy)benzamide
CID 54585420
N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethoxybenzamide
CID 912382
N-(4-(3,4-dihydro-6,7-dimethoxyisoquinolin-2(1H)-yl)butyl)-2-methoxy-5-methyl-benzamide
CID 11165837
(+/-)-7-isopropoxy-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2H)-one
CID 11231392

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 8-methoxy-3,4-dihydro-2H-isoquinolin-1-one (CID 12950745) is 8-methoxy-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 8-methoxy-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 8-methoxy-3,4-dihydro-2H-isoquinolin-1-one is COc1cccc2c1C(=O)NCC2.
What is the InChIKey of 8-methoxy-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is RBGJBRPKCUAHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-8-4-2-3-7-5-6-11-10(12)9(7)8/h2-4H,5-6H2,1H3,(H,11,12).
What are the key properties of 8-methoxy-3,4-dihydro-2H-isoquinolin-1-one?
8-methoxy-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 177.20 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 12950745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).