6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one

C12H15NO3 — CID 13029673

IUPAC6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one
SMILESCOc1cc2c(cc1OC)CN(C)C(=O)C2
InChIInChI=1S/C12H15NO3/c1-13-7-9-5-11(16-3)10(15-2)4-8(9)6-12(13)14/h4-5H,6-7H2,1-3H3
InChIKeyBPUYEAJUBQLKGU-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.22
Rot. Bonds2

About 6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one

6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one (PubChem CID 13029673) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one
PubChem CID13029673
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one
SMILESCOc1cc2c(cc1OC)CN(C)C(=O)C2
InChIInChI=1S/C12H15NO3/c1-13-7-9-5-11(16-3)10(15-2)4-8(9)6-12(13)14/h4-5H,6-7H2,1-3H3
InChIKeyBPUYEAJUBQLKGU-UHFFFAOYSA-N
XLogP1.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one?
The IUPAC name of 6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one (CID 13029673) is 6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one?
The canonical SMILES for 6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one is COc1cc2c(cc1OC)CN(C)C(=O)C2.
What is the InChIKey of 6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one?
The InChIKey is BPUYEAJUBQLKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-13-7-9-5-11(16-3)10(15-2)4-8(9)6-12(13)14/h4-5H,6-7H2,1-3H3.
What are the key properties of 6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one?
6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one has a molecular weight of 221.26 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one is sourced from PubChem (CID 13029673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).