methyl 5-hydroxyisoquinoline-3-carboxylate

C11H9NO3 — CID 131582448

IUPACmethyl 5-hydroxyisoquinoline-3-carboxylate
SMILESCOC(=O)c1cc2c(O)cccc2cn1
InChIInChI=1S/C11H9NO3/c1-15-11(14)9-5-8-7(6-12-9)3-2-4-10(8)13/h2-6,13H,1H3
InChIKeyUXAQVADRWDCRQH-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.73
Rot. Bonds1

About methyl 5-hydroxyisoquinoline-3-carboxylate

methyl 5-hydroxyisoquinoline-3-carboxylate (PubChem CID 131582448) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is methyl 5-hydroxyisoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxyisoquinoline-3-carboxylate
PubChem CID131582448
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Namemethyl 5-hydroxyisoquinoline-3-carboxylate
SMILESCOC(=O)c1cc2c(O)cccc2cn1
InChIInChI=1S/C11H9NO3/c1-15-11(14)9-5-8-7(6-12-9)3-2-4-10(8)13/h2-6,13H,1H3
InChIKeyUXAQVADRWDCRQH-UHFFFAOYSA-N
XLogP1.73
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl isoquinoline-3-carboxylate
CID 123724655
methyl 8-methoxyisoquinoline-3-carboxylate
CID 66940406
methyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate
CID 154671680
methyl 7-hydroxyisoquinoline-3-carboxylate
CID 53419788
ethyl 5-methoxyisoquinoline-3-carboxylate
CID 131699571
methyl 6-methylisoquinoline-3-carboxylate
CID 22243644
dimethyl isoquinoline-3,6-dicarboxylate
CID 155973058
methyl [1]benzofuro[2,3-c]pyridine-3-carboxylate
CID 69362978
methyl 3-chloroisoquinoline-4-carboxylate
CID 71748466
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
methyl 4-(2,6-dimethylphenyl)-5-methoxypyridine-2-carboxylate
CID 166844850
methyl 4-aminopyridine-2-carboxylate
CID 3759117

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxyisoquinoline-3-carboxylate?
The IUPAC name of methyl 5-hydroxyisoquinoline-3-carboxylate (CID 131582448) is methyl 5-hydroxyisoquinoline-3-carboxylate.
What is the SMILES notation for methyl 5-hydroxyisoquinoline-3-carboxylate?
The canonical SMILES for methyl 5-hydroxyisoquinoline-3-carboxylate is COC(=O)c1cc2c(O)cccc2cn1.
What is the InChIKey of methyl 5-hydroxyisoquinoline-3-carboxylate?
The InChIKey is UXAQVADRWDCRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-15-11(14)9-5-8-7(6-12-9)3-2-4-10(8)13/h2-6,13H,1H3.
What are the key properties of methyl 5-hydroxyisoquinoline-3-carboxylate?
methyl 5-hydroxyisoquinoline-3-carboxylate has a molecular weight of 203.20 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxyisoquinoline-3-carboxylate is sourced from PubChem (CID 131582448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).