9-hydroxy-1-methoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-one

C14H13NO3 — CID 135818772

IUPAC9-hydroxy-1-methoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-one
SMILESCOc1nc(C)cc2cc3c(c(O)c12)C(=O)CC3
InChIInChI=1S/C14H13NO3/c1-7-5-9-6-8-3-4-10(16)11(8)13(17)12(9)14(15-7)18-2/h5-6,17H,3-4H2,1-2H3
InChIKeyAOXHEQHELFHJIF-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.39
Rot. Bonds1

About 9-hydroxy-1-methoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-one

9-hydroxy-1-methoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-one (PubChem CID 135818772) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 9-hydroxy-1-methoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-one.

Molecular Properties

Compound Name9-hydroxy-1-methoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-one
PubChem CID135818772
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name9-hydroxy-1-methoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-one
SMILESCOc1nc(C)cc2cc3c(c(O)c12)C(=O)CC3
InChIInChI=1S/C14H13NO3/c1-7-5-9-6-8-3-4-10(16)11(8)13(17)12(9)14(15-7)18-2/h5-6,17H,3-4H2,1-2H3
InChIKeyAOXHEQHELFHJIF-UHFFFAOYSA-N
XLogP2.39
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione
CID 71438742
8-methoxy-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one;6-methyl-4,7-dihydro-3H-pyrano[3,4-c]pyridine-1,8-dione
CID 68971908
5-(4-methoxyphenyl)-7-trimethylsilyl-2,3-dihydroinden-1-one
CID 100968422
5-chloro-7-hydroxy-2,3-dihydroinden-1-one
CID 127255743
9-chloro-1-(2,4-dimethoxy-6-methylphenyl)-8,10,12-trihydroxy-3,6,6-trimethylnaphtho[3,2-g]isoquinolin-11-one
CID 163114566
4-methoxy-1,2-dihydrocyclopenta[a]azulen-3-one
CID 15686138
4-acetyl-2-methoxy-6-methylpyridine-3-carboxamide
CID 130017235
1-methoxy-3-methylisoquinolin-5-ol
CID 84661934
2-methoxy-5-oxo-7,8-dihydro-6H-quinoline-3-carboxylic acid
CID 84686452
1-methoxy-3-methylisoquinoline
CID 66489764
6,7-dichloro-5-hydroxy-2,3-dihydroinden-1-one
CID 154230335
7-bromo-5-methyl-2,3-dihydroinden-1-one
CID 71021865

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-1-methoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-one?
The IUPAC name of 9-hydroxy-1-methoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-one (CID 135818772) is 9-hydroxy-1-methoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-one.
What is the SMILES notation for 9-hydroxy-1-methoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-one?
The canonical SMILES for 9-hydroxy-1-methoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-one is COc1nc(C)cc2cc3c(c(O)c12)C(=O)CC3.
What is the InChIKey of 9-hydroxy-1-methoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-one?
The InChIKey is AOXHEQHELFHJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-7-5-9-6-8-3-4-10(16)11(8)13(17)12(9)14(15-7)18-2/h5-6,17H,3-4H2,1-2H3.
What are the key properties of 9-hydroxy-1-methoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-one?
9-hydroxy-1-methoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-one has a molecular weight of 243.26 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-1-methoxy-3-methyl-6,7-dihydrocyclopenta[g]isoquinolin-8-one is sourced from PubChem (CID 135818772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).