methyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate

C13H13NO4 — CID 156872967

IUPACmethyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate
SMILESCOC(=O)c1cc(OC)c2nc(CO)ccc2c1
InChIInChI=1S/C13H13NO4/c1-17-11-6-9(13(16)18-2)5-8-3-4-10(7-15)14-12(8)11/h3-6,15H,7H2,1-2H3
InChIKeyMUEWUVCIUOVGJT-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.52
Rot. Bonds3

About methyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate

methyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate (PubChem CID 156872967) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate
PubChem CID156872967
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Namemethyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate
SMILESCOC(=O)c1cc(OC)c2nc(CO)ccc2c1
InChIInChI=1S/C13H13NO4/c1-17-11-6-9(13(16)18-2)5-8-3-4-10(7-15)14-12(8)11/h3-6,15H,7H2,1-2H3
InChIKeyMUEWUVCIUOVGJT-UHFFFAOYSA-N
XLogP1.52
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 8-methoxycinnoline-6-carboxylate
CID 156872747
methyl 7,8-dimethoxyquinoline-3-carboxylate
CID 166736815
methyl 2-fluoro-8-methoxy-3-methylquinoline-6-carboxylate
CID 156896227
methyl 3-fluoro-8-methoxycinnoline-6-carboxylate
CID 156872839
methyl 2-(hydroxymethyl)-6-methylpyridine-4-carboxylate;hydrate
CID 141487204
methyl 3-fluoro-2-(1-hydroxyethyl)-8-methoxyquinoline-6-carboxylate
CID 166783051
methyl 4-bromo-3-(hydroxymethyl)-5-methoxybenzoate
CID 67562567
methyl 8-methoxy-4-methylquinoline-6-carboxylate
CID 71521814
methyl 8-methoxy-3-tributylstannylquinoline-6-carboxylate
CID 170992828
methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate
CID 122501384
1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate
CID 11402920
methyl 6-(dimethylamino)-4-methoxynaphthalene-2-carboxylate
CID 73013849

Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate?
The IUPAC name of methyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate (CID 156872967) is methyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate.
What is the SMILES notation for methyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate?
The canonical SMILES for methyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate is COC(=O)c1cc(OC)c2nc(CO)ccc2c1.
What is the InChIKey of methyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate?
The InChIKey is MUEWUVCIUOVGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-17-11-6-9(13(16)18-2)5-8-3-4-10(7-15)14-12(8)11/h3-6,15H,7H2,1-2H3.
What are the key properties of methyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate?
methyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxymethyl)-8-methoxyquinoline-6-carboxylate is sourced from PubChem (CID 156872967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).