5-methoxy-2-quinolin-2-ylbenzoic acid

C17H13NO3 — CID 116644950

IUPAC5-methoxy-2-quinolin-2-ylbenzoic acid
SMILESCOc1ccc(-c2ccc3ccccc3n2)c(C(=O)O)c1
InChIInChI=1S/C17H13NO3/c1-21-12-7-8-13(14(10-12)17(19)20)16-9-6-11-4-2-3-5-15(11)18-16/h2-10H,1H3,(H,19,20)
InChIKeyAFVBNTFZYHXCKC-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.61
Rot. Bonds3

About 5-methoxy-2-quinolin-2-ylbenzoic acid

5-methoxy-2-quinolin-2-ylbenzoic acid (PubChem CID 116644950) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-methoxy-2-quinolin-2-ylbenzoic acid.

Molecular Properties

Compound Name5-methoxy-2-quinolin-2-ylbenzoic acid
PubChem CID116644950
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name5-methoxy-2-quinolin-2-ylbenzoic acid
SMILESCOc1ccc(-c2ccc3ccccc3n2)c(C(=O)O)c1
InChIInChI=1S/C17H13NO3/c1-21-12-7-8-13(14(10-12)17(19)20)16-9-6-11-4-2-3-5-15(11)18-16/h2-10H,1H3,(H,19,20)
InChIKeyAFVBNTFZYHXCKC-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

5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid
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2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
6-methoxy-2-naphthalen-1-ylquinoline
CID 164679227
5-methoxy-3-quinolin-2-yl-1H-indol-2-ol
CID 135433477
2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid
CID 107514003
carbonic acid;2-(3,4-dimethoxyphenyl)quinoline
CID 70367637
CID 171375610
CID 171375610
2-(4-methoxyphenyl)quinoline-8-carboxylic acid
CID 125495985
2-(furan-3-yl)-5-methoxybenzoic acid
CID 63948118
5-methoxy-2-[3-(2-methylpropyl)phenyl]benzoic acid
CID 116545184
5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423926

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-quinolin-2-ylbenzoic acid?
The IUPAC name of 5-methoxy-2-quinolin-2-ylbenzoic acid (CID 116644950) is 5-methoxy-2-quinolin-2-ylbenzoic acid.
What is the SMILES notation for 5-methoxy-2-quinolin-2-ylbenzoic acid?
The canonical SMILES for 5-methoxy-2-quinolin-2-ylbenzoic acid is COc1ccc(-c2ccc3ccccc3n2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-quinolin-2-ylbenzoic acid?
The InChIKey is AFVBNTFZYHXCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-21-12-7-8-13(14(10-12)17(19)20)16-9-6-11-4-2-3-5-15(11)18-16/h2-10H,1H3,(H,19,20).
What are the key properties of 5-methoxy-2-quinolin-2-ylbenzoic acid?
5-methoxy-2-quinolin-2-ylbenzoic 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 5-methoxy-2-quinolin-2-ylbenzoic acid is sourced from PubChem (CID 116644950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).