1-hydroxy-2H-benzo[g]isoquinolin-3-one

C13H9NO2 — CID 91372494

IUPAC1-hydroxy-2H-benzo[g]isoquinolin-3-one
SMILESO=c1cc2cc3ccccc3cc2c(O)[nH]1
InChIInChI=1S/C13H9NO2/c15-12-7-10-5-8-3-1-2-4-9(8)6-11(10)13(16)14-12/h1-7H,(H2,14,15,16)
InChIKeyLXJFPIDEVANOKQ-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.39
Rot. Bonds

About 1-hydroxy-2H-benzo[g]isoquinolin-3-one

1-hydroxy-2H-benzo[g]isoquinolin-3-one (PubChem CID 91372494) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-hydroxy-2H-benzo[g]isoquinolin-3-one.

Molecular Properties

Compound Name1-hydroxy-2H-benzo[g]isoquinolin-3-one
PubChem CID91372494
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name1-hydroxy-2H-benzo[g]isoquinolin-3-one
SMILESO=c1cc2cc3ccccc3cc2c(O)[nH]1
InChIInChI=1S/C13H9NO2/c15-12-7-10-5-8-3-1-2-4-9(8)6-11(10)13(16)14-12/h1-7H,(H2,14,15,16)
InChIKeyLXJFPIDEVANOKQ-UHFFFAOYSA-N
XLogP2.39
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,6-Dihydroxy-3,4-dimethylpyridine
CID 10313171
1,3-Isoquinolinediol
CID 251596
Trihydroxyisoquinoline
CID 67120228
1-methoxy-2H-isoquinolin-3-one
CID 126737660
6-fluoro-1-hydroxy-2H-isoquinolin-3-one
CID 90817847
2,6-Dihydroxy-3-vinyl-4-methylpyridine
CID 13310393
7-Fluoroisoquinoline-1,3-diol
CID 133058383
5-Ethyl-6-hydroxy-4-methylpyridin-2(1h)-one
CID 230834
4-Ethyl-6-hydroxypyridin-2(1H)-one
CID 20574971
5-Bromo-3-hydroxyisoquinolin-1(2H)-one
CID 20579032
1-hydroxy-5-methyl-2H-isoquinolin-3-one
CID 20579033
6-amino-1-hydroxy-2H-isoquinolin-3-one
CID 21290260

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2H-benzo[g]isoquinolin-3-one?
The IUPAC name of 1-hydroxy-2H-benzo[g]isoquinolin-3-one (CID 91372494) is 1-hydroxy-2H-benzo[g]isoquinolin-3-one.
What is the SMILES notation for 1-hydroxy-2H-benzo[g]isoquinolin-3-one?
The canonical SMILES for 1-hydroxy-2H-benzo[g]isoquinolin-3-one is O=c1cc2cc3ccccc3cc2c(O)[nH]1.
What is the InChIKey of 1-hydroxy-2H-benzo[g]isoquinolin-3-one?
The InChIKey is LXJFPIDEVANOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c15-12-7-10-5-8-3-1-2-4-9(8)6-11(10)13(16)14-12/h1-7H,(H2,14,15,16).
What are the key properties of 1-hydroxy-2H-benzo[g]isoquinolin-3-one?
1-hydroxy-2H-benzo[g]isoquinolin-3-one has a molecular weight of 211.22 g/mol, XLogP of 2.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2H-benzo[g]isoquinolin-3-one is sourced from PubChem (CID 91372494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).