methyl 3-hydroxyquinoline-4-carboxylate

C11H9NO3 — CID 12554535

IUPACmethyl 3-hydroxyquinoline-4-carboxylate
SMILESCOC(=O)c1c(O)cnc2ccccc12
InChIInChI=1S/C11H9NO3/c1-15-11(14)10-7-4-2-3-5-8(7)12-6-9(10)13/h2-6,13H,1H3
InChIKeyNHVBBJBFKMAMEH-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.73
Rot. Bonds1

About methyl 3-hydroxyquinoline-4-carboxylate

methyl 3-hydroxyquinoline-4-carboxylate (PubChem CID 12554535) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is methyl 3-hydroxyquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxyquinoline-4-carboxylate
PubChem CID12554535
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Namemethyl 3-hydroxyquinoline-4-carboxylate
SMILESCOC(=O)c1c(O)cnc2ccccc12
InChIInChI=1S/C11H9NO3/c1-15-11(14)10-7-4-2-3-5-8(7)12-6-9(10)13/h2-6,13H,1H3
InChIKeyNHVBBJBFKMAMEH-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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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxyquinoline-4-carboxylate?
The IUPAC name of methyl 3-hydroxyquinoline-4-carboxylate (CID 12554535) is methyl 3-hydroxyquinoline-4-carboxylate.
What is the SMILES notation for methyl 3-hydroxyquinoline-4-carboxylate?
The canonical SMILES for methyl 3-hydroxyquinoline-4-carboxylate is COC(=O)c1c(O)cnc2ccccc12.
What is the InChIKey of methyl 3-hydroxyquinoline-4-carboxylate?
The InChIKey is NHVBBJBFKMAMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-15-11(14)10-7-4-2-3-5-8(7)12-6-9(10)13/h2-6,13H,1H3.
What are the key properties of methyl 3-hydroxyquinoline-4-carboxylate?
methyl 3-hydroxyquinoline-4-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 3-hydroxyquinoline-4-carboxylate is sourced from PubChem (CID 12554535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).