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

C10H9NO2 — CID 90091153

IUPAC4-hydroxy-1-methyl-2H-isoquinolin-3-one
SMILESCc1[nH]c(=O)c(O)c2ccccc12
InChIInChI=1S/C10H9NO2/c1-6-7-4-2-3-5-8(7)9(12)10(13)11-6/h2-5,12H,1H3,(H,11,13)
InChIKeyYUOQCANQTPLPFN-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.54
Rot. Bonds

About 4-hydroxy-1-methyl-2H-isoquinolin-3-one

4-hydroxy-1-methyl-2H-isoquinolin-3-one (PubChem CID 90091153) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-2H-isoquinolin-3-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-2H-isoquinolin-3-one
PubChem CID90091153
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name4-hydroxy-1-methyl-2H-isoquinolin-3-one
SMILESCc1[nH]c(=O)c(O)c2ccccc12
InChIInChI=1S/C10H9NO2/c1-6-7-4-2-3-5-8(7)9(12)10(13)11-6/h2-5,12H,1H3,(H,11,13)
InChIKeyYUOQCANQTPLPFN-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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-2H-isoquinolin-3-one?
The IUPAC name of 4-hydroxy-1-methyl-2H-isoquinolin-3-one (CID 90091153) is 4-hydroxy-1-methyl-2H-isoquinolin-3-one.
What is the SMILES notation for 4-hydroxy-1-methyl-2H-isoquinolin-3-one?
The canonical SMILES for 4-hydroxy-1-methyl-2H-isoquinolin-3-one is Cc1[nH]c(=O)c(O)c2ccccc12.
What is the InChIKey of 4-hydroxy-1-methyl-2H-isoquinolin-3-one?
The InChIKey is YUOQCANQTPLPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-6-7-4-2-3-5-8(7)9(12)10(13)11-6/h2-5,12H,1H3,(H,11,13).
What are the key properties of 4-hydroxy-1-methyl-2H-isoquinolin-3-one?
4-hydroxy-1-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 4-hydroxy-1-methyl-2H-isoquinolin-3-one is sourced from PubChem (CID 90091153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).