methyl 7-hydroxyisoquinoline-3-carboxylate

C11H9NO3 — CID 53419788

IUPACmethyl 7-hydroxyisoquinoline-3-carboxylate
SMILESCOC(=O)c1cc2ccc(O)cc2cn1
InChIInChI=1S/C11H9NO3/c1-15-11(14)10-5-7-2-3-9(13)4-8(7)6-12-10/h2-6,13H,1H3
InChIKeyHEGXLPJASDGKDJ-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.73
Rot. Bonds1

About methyl 7-hydroxyisoquinoline-3-carboxylate

methyl 7-hydroxyisoquinoline-3-carboxylate (PubChem CID 53419788) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is methyl 7-hydroxyisoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-hydroxyisoquinoline-3-carboxylate
PubChem CID53419788
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Namemethyl 7-hydroxyisoquinoline-3-carboxylate
SMILESCOC(=O)c1cc2ccc(O)cc2cn1
InChIInChI=1S/C11H9NO3/c1-15-11(14)10-5-7-2-3-9(13)4-8(7)6-12-10/h2-6,13H,1H3
InChIKeyHEGXLPJASDGKDJ-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

propan-2-yl 7-hydroxyisoquinoline-3-carboxylate
CID 133060554
ethane;methyl isoquinoline-3-carboxylate
CID 123724655
methyl 6-methylisoquinoline-3-carboxylate
CID 22243644
dimethyl isoquinoline-3,6-dicarboxylate
CID 155973058
3-(1-methoxyethenyl)isoquinolin-6-ol
CID 137047874
methyl 5-hydroxyisoquinoline-3-carboxylate
CID 131582448
N-[1-(7-hydroxyisoquinolin-3-yl)ethenyl]formamide
CID 54211174
methyl 8-methoxyisoquinoline-3-carboxylate
CID 66940406
propan-2-yl 7-methylisoquinoline-3-carboxylate
CID 133054385
methyl 3-methoxyisoquinoline-7-carboxylate
CID 126676671
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
methyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate
CID 154671680

Frequently Asked Questions

What is the IUPAC name of methyl 7-hydroxyisoquinoline-3-carboxylate?
The IUPAC name of methyl 7-hydroxyisoquinoline-3-carboxylate (CID 53419788) is methyl 7-hydroxyisoquinoline-3-carboxylate.
What is the SMILES notation for methyl 7-hydroxyisoquinoline-3-carboxylate?
The canonical SMILES for methyl 7-hydroxyisoquinoline-3-carboxylate is COC(=O)c1cc2ccc(O)cc2cn1.
What is the InChIKey of methyl 7-hydroxyisoquinoline-3-carboxylate?
The InChIKey is HEGXLPJASDGKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-15-11(14)10-5-7-2-3-9(13)4-8(7)6-12-10/h2-6,13H,1H3.
What are the key properties of methyl 7-hydroxyisoquinoline-3-carboxylate?
methyl 7-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 7-hydroxyisoquinoline-3-carboxylate is sourced from PubChem (CID 53419788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).