methyl 4-[(8-hydroxyquinolin-2-yl)methoxy]benzoate

C18H15NO4 — CID 139816783

IUPACmethyl 4-[(8-hydroxyquinolin-2-yl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc3cccc(O)c3n2)cc1
InChIInChI=1S/C18H15NO4/c1-22-18(21)13-6-9-15(10-7-13)23-11-14-8-5-12-3-2-4-16(20)17(12)19-14/h2-10,20H,11H2,1H3
InChIKeyKLFCAMBJIDOIGA-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.31
Rot. Bonds4

About methyl 4-[(8-hydroxyquinolin-2-yl)methoxy]benzoate

methyl 4-[(8-hydroxyquinolin-2-yl)methoxy]benzoate (PubChem CID 139816783) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is methyl 4-[(8-hydroxyquinolin-2-yl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(8-hydroxyquinolin-2-yl)methoxy]benzoate
PubChem CID139816783
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Namemethyl 4-[(8-hydroxyquinolin-2-yl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc3cccc(O)c3n2)cc1
InChIInChI=1S/C18H15NO4/c1-22-18(21)13-6-9-15(10-7-13)23-11-14-8-5-12-3-2-4-16(20)17(12)19-14/h2-10,20H,11H2,1H3
InChIKeyKLFCAMBJIDOIGA-UHFFFAOYSA-N
XLogP3.31
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644
methyl 4-[(5-bromo-2-pyridinyl)methoxy]benzoate
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ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate
CID 79267932
methyl 4-[(2,4-diaminopteridin-6-yl)methoxy]benzoate
CID 134112689
N-[(2Z)-2-amino-2-(phenylhydrazinylidene)ethyl]-N-[4-[(8-hydroxyquinolin-2-yl)methoxy]phenyl]benzamide
CID 139864550
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
methyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate
CID 51293876
2-(2-methylpropoxymethyl)quinolin-8-ol
CID 175691376
8-fluoro-2-[(4-methylphenoxy)methyl]quinoline
CID 142083904
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
methyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
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CID 23631878

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(8-hydroxyquinolin-2-yl)methoxy]benzoate?
The IUPAC name of methyl 4-[(8-hydroxyquinolin-2-yl)methoxy]benzoate (CID 139816783) is methyl 4-[(8-hydroxyquinolin-2-yl)methoxy]benzoate.
What is the SMILES notation for methyl 4-[(8-hydroxyquinolin-2-yl)methoxy]benzoate?
The canonical SMILES for methyl 4-[(8-hydroxyquinolin-2-yl)methoxy]benzoate is COC(=O)c1ccc(OCc2ccc3cccc(O)c3n2)cc1.
What is the InChIKey of methyl 4-[(8-hydroxyquinolin-2-yl)methoxy]benzoate?
The InChIKey is KLFCAMBJIDOIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-18(21)13-6-9-15(10-7-13)23-11-14-8-5-12-3-2-4-16(20)17(12)19-14/h2-10,20H,11H2,1H3.
What are the key properties of methyl 4-[(8-hydroxyquinolin-2-yl)methoxy]benzoate?
methyl 4-[(8-hydroxyquinolin-2-yl)methoxy]benzoate has a molecular weight of 309.32 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(8-hydroxyquinolin-2-yl)methoxy]benzoate is sourced from PubChem (CID 139816783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).