(1R)-6,8-dimethoxy-1,2-dimethyl-1,4-dihydroisoquinolin-3-one

C13H17NO3 — CID 102347263

IUPAC(1R)-6,8-dimethoxy-1,2-dimethyl-1,4-dihydroisoquinolin-3-one
SMILESCOc1cc2c(c(OC)c1)[C@@H](C)N(C)C(=O)C2
InChIInChI=1S/C13H17NO3/c1-8-13-9(6-12(15)14(8)2)5-10(16-3)7-11(13)17-4/h5,7-8H,6H2,1-4H3/t8-/m1/s1
InChIKeySBQJJNGUEZYZGJ-MRVPVSSYSA-N
MW235.28 g/mol
LogP1.78
Rot. Bonds2

About (1R)-6,8-dimethoxy-1,2-dimethyl-1,4-dihydroisoquinolin-3-one

(1R)-6,8-dimethoxy-1,2-dimethyl-1,4-dihydroisoquinolin-3-one (PubChem CID 102347263) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (1R)-6,8-dimethoxy-1,2-dimethyl-1,4-dihydroisoquinolin-3-one.

Molecular Properties

Compound Name(1R)-6,8-dimethoxy-1,2-dimethyl-1,4-dihydroisoquinolin-3-one
PubChem CID102347263
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(1R)-6,8-dimethoxy-1,2-dimethyl-1,4-dihydroisoquinolin-3-one
SMILESCOc1cc2c(c(OC)c1)[C@@H](C)N(C)C(=O)C2
InChIInChI=1S/C13H17NO3/c1-8-13-9(6-12(15)14(8)2)5-10(16-3)7-11(13)17-4/h5,7-8H,6H2,1-4H3/t8-/m1/s1
InChIKeySBQJJNGUEZYZGJ-MRVPVSSYSA-N
XLogP1.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one
CID 154196757
methyl (2S,3R)-1-methyl-5-oxo-3-(2,4,6-trimethoxyphenyl)pyrrolidine-2-carboxylate
CID 67165242
5,7-dimethoxy-1-methyl-2,3-dihydroindole-2-carboxylic acid
CID 83870301
6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one
CID 13029673
6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 84634264
(3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 122394142
5,7-dimethoxy-3,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687584
6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 62375762
2-benzyl-6,8-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline
CID 3725456
methyl 3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanoate
CID 4987525
3-(2-methoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 5146903
5,7-dimethoxy-3H-2-benzofuran-1-one
CID 7314397

Frequently Asked Questions

What is the IUPAC name of (1R)-6,8-dimethoxy-1,2-dimethyl-1,4-dihydroisoquinolin-3-one?
The IUPAC name of (1R)-6,8-dimethoxy-1,2-dimethyl-1,4-dihydroisoquinolin-3-one (CID 102347263) is (1R)-6,8-dimethoxy-1,2-dimethyl-1,4-dihydroisoquinolin-3-one.
What is the SMILES notation for (1R)-6,8-dimethoxy-1,2-dimethyl-1,4-dihydroisoquinolin-3-one?
The canonical SMILES for (1R)-6,8-dimethoxy-1,2-dimethyl-1,4-dihydroisoquinolin-3-one is COc1cc2c(c(OC)c1)[C@@H](C)N(C)C(=O)C2.
What is the InChIKey of (1R)-6,8-dimethoxy-1,2-dimethyl-1,4-dihydroisoquinolin-3-one?
The InChIKey is SBQJJNGUEZYZGJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8-13-9(6-12(15)14(8)2)5-10(16-3)7-11(13)17-4/h5,7-8H,6H2,1-4H3/t8-/m1/s1.
What are the key properties of (1R)-6,8-dimethoxy-1,2-dimethyl-1,4-dihydroisoquinolin-3-one?
(1R)-6,8-dimethoxy-1,2-dimethyl-1,4-dihydroisoquinolin-3-one has a molecular weight of 235.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6,8-dimethoxy-1,2-dimethyl-1,4-dihydroisoquinolin-3-one is sourced from PubChem (CID 102347263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).