4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid

C18H15NO5 — CID 22132796

IUPAC4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
SMILESCOc1cc2nccc(Oc3ccc(C(=O)O)cc3)c2cc1OC
InChIInChI=1S/C18H15NO5/c1-22-16-9-13-14(10-17(16)23-2)19-8-7-15(13)24-12-5-3-11(4-6-12)18(20)21/h3-10H,1-2H3,(H,20,21)
InChIKeyOLZGBRIHYLKWTN-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.74
Rot. Bonds5

About 4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid

4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid (PubChem CID 22132796) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
PubChem CID22132796
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
SMILESCOc1cc2nccc(Oc3ccc(C(=O)O)cc3)c2cc1OC
InChIInChI=1S/C18H15NO5/c1-22-16-9-13-14(10-17(16)23-2)19-8-7-15(13)24-12-5-3-11(4-6-12)18(20)21/h3-10H,1-2H3,(H,20,21)
InChIKeyOLZGBRIHYLKWTN-UHFFFAOYSA-N
XLogP3.74
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid
CID 59813662
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone
CID 22132745
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid
CID 23078521
(2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone
CID 22132797
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
methane;4,6,7-trimethoxyquinoline
CID 157066291
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-(4-methylphenyl)pentane-2,4-dione
CID 58249515

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid?
The IUPAC name of 4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid (CID 22132796) is 4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid.
What is the SMILES notation for 4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid?
The canonical SMILES for 4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid is COc1cc2nccc(Oc3ccc(C(=O)O)cc3)c2cc1OC.
What is the InChIKey of 4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid?
The InChIKey is OLZGBRIHYLKWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-22-16-9-13-14(10-17(16)23-2)19-8-7-15(13)24-12-5-3-11(4-6-12)18(20)21/h3-10H,1-2H3,(H,20,21).
What are the key properties of 4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid?
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid has a molecular weight of 325.32 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid is sourced from PubChem (CID 22132796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).