4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid

C18H15NO4 — CID 5074844

IUPAC4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1OCc1ccc2ccccc2n1
InChIInChI=1S/C18H15NO4/c1-22-16-9-7-13(18(20)21)10-17(16)23-11-14-8-6-12-4-2-3-5-15(12)19-14/h2-10H,11H2,1H3,(H,20,21)
InChIKeyGRVHHUDYXGKHQT-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.52
Rot. Bonds5

About 4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid

4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid (PubChem CID 5074844) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
PubChem CID5074844
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1OCc1ccc2ccccc2n1
InChIInChI=1S/C18H15NO4/c1-22-16-9-7-13(18(20)21)10-17(16)23-11-14-8-6-12-4-2-3-5-15(12)19-14/h2-10H,11H2,1H3,(H,20,21)
InChIKeyGRVHHUDYXGKHQT-UHFFFAOYSA-N
XLogP3.52
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N'-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]propanediamide
CID 166206465
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
CID 20986648
3-methoxy-4-(quinolin-2-ylmethoxy)phenol;3-methyl-4-(quinolin-2-ylmethoxy)phenol
CID 70388723
1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol
CID 21014235
2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline
CID 104707445
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
N-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 86964994
3-(quinolin-2-ylmethoxy)thiophene-2-carboxylic acid
CID 63338487
methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 19087804
acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid
CID 22616056
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid?
The IUPAC name of 4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid (CID 5074844) is 4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid?
The canonical SMILES for 4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid is COc1ccc(C(=O)O)cc1OCc1ccc2ccccc2n1.
What is the InChIKey of 4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid?
The InChIKey is GRVHHUDYXGKHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-16-9-7-13(18(20)21)10-17(16)23-11-14-8-6-12-4-2-3-5-15(12)19-14/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of 4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid?
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid has a molecular weight of 309.32 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid is sourced from PubChem (CID 5074844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).