3-(8-methoxyquinolin-5-yl)benzoic acid

C17H13NO3 — CID 82039973

IUPAC3-(8-methoxyquinolin-5-yl)benzoic acid
SMILESCOc1ccc(-c2cccc(C(=O)O)c2)c2cccnc12
InChIInChI=1S/C17H13NO3/c1-21-15-8-7-13(14-6-3-9-18-16(14)15)11-4-2-5-12(10-11)17(19)20/h2-10H,1H3,(H,19,20)
InChIKeyASBJJATUGMJEAZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.61
Rot. Bonds3

About 3-(8-methoxyquinolin-5-yl)benzoic acid

3-(8-methoxyquinolin-5-yl)benzoic acid (PubChem CID 82039973) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(8-methoxyquinolin-5-yl)benzoic acid.

Molecular Properties

Compound Name3-(8-methoxyquinolin-5-yl)benzoic acid
PubChem CID82039973
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name3-(8-methoxyquinolin-5-yl)benzoic acid
SMILESCOc1ccc(-c2cccc(C(=O)O)c2)c2cccnc12
InChIInChI=1S/C17H13NO3/c1-21-15-8-7-13(14-6-3-9-18-16(14)15)11-4-2-5-12(10-11)17(19)20/h2-10H,1H3,(H,19,20)
InChIKeyASBJJATUGMJEAZ-UHFFFAOYSA-N
XLogP3.61
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039992
[2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(8-methoxyquinolin-5-yl)phenyl]methanone
CID 156608724
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde
CID 82039986
5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid
CID 56716559
2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole
CID 56717633
3-(2-methoxyphenyl)benzoic acid
CID 2759547
1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone
CID 61033105
4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide
CID 69175133
3-(2-fluoro-3-methoxyphenyl)benzoic acid
CID 53216650
3-(2,3,4-trimethoxyphenyl)benzamide
CID 174562773
N-(8-methoxyquinolin-5-yl)-3-methylbenzamide
CID 26823022
3-[7-methoxy-2-(2-methyl-1,3-dioxolan-2-yl)-1-benzofuran-4-yl]benzoic acid
CID 68538414

Frequently Asked Questions

What is the IUPAC name of 3-(8-methoxyquinolin-5-yl)benzoic acid?
The IUPAC name of 3-(8-methoxyquinolin-5-yl)benzoic acid (CID 82039973) is 3-(8-methoxyquinolin-5-yl)benzoic acid.
What is the SMILES notation for 3-(8-methoxyquinolin-5-yl)benzoic acid?
The canonical SMILES for 3-(8-methoxyquinolin-5-yl)benzoic acid is COc1ccc(-c2cccc(C(=O)O)c2)c2cccnc12.
What is the InChIKey of 3-(8-methoxyquinolin-5-yl)benzoic acid?
The InChIKey is ASBJJATUGMJEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-21-15-8-7-13(14-6-3-9-18-16(14)15)11-4-2-5-12(10-11)17(19)20/h2-10H,1H3,(H,19,20).
What are the key properties of 3-(8-methoxyquinolin-5-yl)benzoic acid?
3-(8-methoxyquinolin-5-yl)benzoic acid has a molecular weight of 279.30 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methoxyquinolin-5-yl)benzoic acid is sourced from PubChem (CID 82039973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).