6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one

C11H13NO3 — CID 610097

IUPAC6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one
SMILESCOc1cc2c(cc1OC)C(=O)NCC2
InChIInChI=1S/C11H13NO3/c1-14-9-5-7-3-4-12-11(13)8(7)6-10(9)15-2/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyMQKFSXLBPPCAGR-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.99
Rot. Bonds2

About 6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one

6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 610097) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID610097
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one
SMILESCOc1cc2c(cc1OC)C(=O)NCC2
InChIInChI=1S/C11H13NO3/c1-14-9-5-7-3-4-12-11(13)8(7)6-10(9)15-2/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyMQKFSXLBPPCAGR-UHFFFAOYSA-N
XLogP0.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one (CID 610097) is 6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one is COc1cc2c(cc1OC)C(=O)NCC2.
What is the InChIKey of 6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is MQKFSXLBPPCAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-14-9-5-7-3-4-12-11(13)8(7)6-10(9)15-2/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one?
6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 207.23 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 610097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).