1-hydroxy-5-methyl-2H-isoquinolin-3-one

C10H9NO2 — CID 20579033

IUPAC1-hydroxy-5-methyl-2H-isoquinolin-3-one
SMILESCc1cccc2c(O)[nH]c(=O)cc12
InChIInChI=1S/C10H9NO2/c1-6-3-2-4-7-8(6)5-9(12)11-10(7)13/h2-5H,1H3,(H2,11,12,13)
InChIKeyCRQWXZAHLXEAQS-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.54
Rot. Bonds

About 1-hydroxy-5-methyl-2H-isoquinolin-3-one

1-hydroxy-5-methyl-2H-isoquinolin-3-one (PubChem CID 20579033) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-hydroxy-5-methyl-2H-isoquinolin-3-one.

Molecular Properties

Compound Name1-hydroxy-5-methyl-2H-isoquinolin-3-one
PubChem CID20579033
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name1-hydroxy-5-methyl-2H-isoquinolin-3-one
SMILESCc1cccc2c(O)[nH]c(=O)cc12
InChIInChI=1S/C10H9NO2/c1-6-3-2-4-7-8(6)5-9(12)11-10(7)13/h2-5H,1H3,(H2,11,12,13)
InChIKeyCRQWXZAHLXEAQS-UHFFFAOYSA-N
XLogP1.54
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Dihydroxy-3,4-dimethylpyridine
CID 10313171
4-Ethyl-2,6-dihydroxynicotinonitrile
CID 18398305
2(1H)-Pyridinone, 6-hydroxy-3-methyl-
CID 20035773
1,3-Isoquinolinediol
CID 251596
3-Acetyl-6-hydroxy-4-methyl-2-pyridone
CID 97276
1-hydroxy-2H-benzo[g]isoquinolin-3-one
CID 91372494
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
5-but-3-enyl-6-methoxy-1H-pyridin-2-one
CID 164674208
1-ethoxy-2H-isoquinolin-3-one
CID 168330143
7-Fluoroisoquinoline-1,3-diol
CID 133058383

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-methyl-2H-isoquinolin-3-one?
The IUPAC name of 1-hydroxy-5-methyl-2H-isoquinolin-3-one (CID 20579033) is 1-hydroxy-5-methyl-2H-isoquinolin-3-one.
What is the SMILES notation for 1-hydroxy-5-methyl-2H-isoquinolin-3-one?
The canonical SMILES for 1-hydroxy-5-methyl-2H-isoquinolin-3-one is Cc1cccc2c(O)[nH]c(=O)cc12.
What is the InChIKey of 1-hydroxy-5-methyl-2H-isoquinolin-3-one?
The InChIKey is CRQWXZAHLXEAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-6-3-2-4-7-8(6)5-9(12)11-10(7)13/h2-5H,1H3,(H2,11,12,13).
What are the key properties of 1-hydroxy-5-methyl-2H-isoquinolin-3-one?
1-hydroxy-5-methyl-2H-isoquinolin-3-one has a molecular weight of 175.19 g/mol, XLogP of 1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-methyl-2H-isoquinolin-3-one is sourced from PubChem (CID 20579033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).