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

C13H17NO3 — CID 134913587

IUPAC6,7-dimethoxy-1,2-dimethyl-1,3-dihydroisoquinolin-4-one
SMILESCOc1cc2c(cc1OC)C(C)N(C)CC2=O
InChIInChI=1S/C13H17NO3/c1-8-9-5-12(16-3)13(17-4)6-10(9)11(15)7-14(8)2/h5-6,8H,7H2,1-4H3
InChIKeyPMHYHQQGCKWHOE-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.89
Rot. Bonds2

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

6,7-dimethoxy-1,2-dimethyl-1,3-dihydroisoquinolin-4-one (PubChem CID 134913587) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 6,7-dimethoxy-1,2-dimethyl-1,3-dihydroisoquinolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-1,2-dimethyl-1,3-dihydroisoquinolin-4-one
PubChem CID134913587
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name6,7-dimethoxy-1,2-dimethyl-1,3-dihydroisoquinolin-4-one
SMILESCOc1cc2c(cc1OC)C(C)N(C)CC2=O
InChIInChI=1S/C13H17NO3/c1-8-9-5-12(16-3)13(17-4)6-10(9)11(15)7-14(8)2/h5-6,8H,7H2,1-4H3
InChIKeyPMHYHQQGCKWHOE-UHFFFAOYSA-N
XLogP1.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one
CID 605781
(3S)-5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one
CID 18445644
6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
CID 22646
4,5,12,13-tetramethoxytetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-8,16-dione
CID 137412659
6,7-dimethoxy-4-oxo-1H-isochromene-1-carboxylic acid
CID 139835192
5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 82159610
6,7-dimethoxy-4-oxo-1H-isothiochromene-1-carboxylic acid
CID 10778296
6,7-dimethoxy-1-methyl-2,3-dihydroquinolin-4-one
CID 82276318
3-(4-chloro-2-methoxyphenyl)-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 134982327
7-tert-butyl-6-methoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
CID 168846404
4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one
CID 13184641
6,7-dimethoxy-2-methyl-3H-isoquinolin-2-ium-4-one
CID 102273979

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1,2-dimethyl-1,3-dihydroisoquinolin-4-one?
The IUPAC name of 6,7-dimethoxy-1,2-dimethyl-1,3-dihydroisoquinolin-4-one (CID 134913587) is 6,7-dimethoxy-1,2-dimethyl-1,3-dihydroisoquinolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-1,2-dimethyl-1,3-dihydroisoquinolin-4-one?
The canonical SMILES for 6,7-dimethoxy-1,2-dimethyl-1,3-dihydroisoquinolin-4-one is COc1cc2c(cc1OC)C(C)N(C)CC2=O.
What is the InChIKey of 6,7-dimethoxy-1,2-dimethyl-1,3-dihydroisoquinolin-4-one?
The InChIKey is PMHYHQQGCKWHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8-9-5-12(16-3)13(17-4)6-10(9)11(15)7-14(8)2/h5-6,8H,7H2,1-4H3.
What are the key properties of 6,7-dimethoxy-1,2-dimethyl-1,3-dihydroisoquinolin-4-one?
6,7-dimethoxy-1,2-dimethyl-1,3-dihydroisoquinolin-4-one has a molecular weight of 235.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1,2-dimethyl-1,3-dihydroisoquinolin-4-one is sourced from PubChem (CID 134913587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).