(6R,7S)-6,10-dihydroxy-7-methoxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one

C15H15NO4 — CID 139587252

IUPAC(6R,7S)-6,10-dihydroxy-7-methoxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one
SMILESCO[C@H]1CC(=O)c2c(cc3cc(C)ncc3c2O)[C@H]1O
InChIInChI=1S/C15H15NO4/c1-7-3-8-4-9-13(15(19)10(8)6-16-7)11(17)5-12(20-2)14(9)18/h3-4,6,12,14,18-19H,5H2,1-2H3/t12-,14+/m0/s1
InChIKeyYIGYNXVYHOYKJA-GXTWGEPZSA-N
MW273.29 g/mol
LogP1.88
Rot. Bonds1

About (6R,7S)-6,10-dihydroxy-7-methoxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one

(6R,7S)-6,10-dihydroxy-7-methoxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one (PubChem CID 139587252) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (6R,7S)-6,10-dihydroxy-7-methoxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one.

Molecular Properties

Compound Name(6R,7S)-6,10-dihydroxy-7-methoxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one
PubChem CID139587252
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name(6R,7S)-6,10-dihydroxy-7-methoxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one
SMILESCO[C@H]1CC(=O)c2c(cc3cc(C)ncc3c2O)[C@H]1O
InChIInChI=1S/C15H15NO4/c1-7-3-8-4-9-13(15(19)10(8)6-16-7)11(17)5-12(20-2)14(9)18/h3-4,6,12,14,18-19H,5H2,1-2H3/t12-,14+/m0/s1
InChIKeyYIGYNXVYHOYKJA-GXTWGEPZSA-N
XLogP1.88
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R,7S)-6,10-dihydroxy-7-methoxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one?
The IUPAC name of (6R,7S)-6,10-dihydroxy-7-methoxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one (CID 139587252) is (6R,7S)-6,10-dihydroxy-7-methoxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one.
What is the SMILES notation for (6R,7S)-6,10-dihydroxy-7-methoxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one?
The canonical SMILES for (6R,7S)-6,10-dihydroxy-7-methoxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one is CO[C@H]1CC(=O)c2c(cc3cc(C)ncc3c2O)[C@H]1O.
What is the InChIKey of (6R,7S)-6,10-dihydroxy-7-methoxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one?
The InChIKey is YIGYNXVYHOYKJA-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H15NO4/c1-7-3-8-4-9-13(15(19)10(8)6-16-7)11(17)5-12(20-2)14(9)18/h3-4,6,12,14,18-19H,5H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of (6R,7S)-6,10-dihydroxy-7-methoxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one?
(6R,7S)-6,10-dihydroxy-7-methoxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one has a molecular weight of 273.29 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S)-6,10-dihydroxy-7-methoxy-3-methyl-7,8-dihydro-6H-benzo[g]isoquinolin-9-one is sourced from PubChem (CID 139587252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).