2-(3-methoxyphenyl)quinoline-4-carboxylic acid

C17H13NO3 — CID 673666

IUPAC2-(3-methoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)c3ccccc3n2)c1
InChIInChI=1S/C17H13NO3/c1-21-12-6-4-5-11(9-12)16-10-14(17(19)20)13-7-2-3-8-15(13)18-16/h2-10H,1H3,(H,19,20)
InChIKeyYBOFRTWITLNSGS-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.61
Rot. Bonds3

About 2-(3-methoxyphenyl)quinoline-4-carboxylic acid

2-(3-methoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 673666) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)quinoline-4-carboxylic acid
PubChem CID673666
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-(3-methoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)c3ccccc3n2)c1
InChIInChI=1S/C17H13NO3/c1-21-12-6-4-5-11(9-12)16-10-14(17(19)20)13-7-2-3-8-15(13)18-16/h2-10H,1H3,(H,19,20)
InChIKeyYBOFRTWITLNSGS-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

Cinchophen
CID 8593
Veliflapon
CID 123723
Oxycinchophen
CID 10239
Neocinchophen
CID 68089
4-Methoxy-2-quinolinecarboxylic acid
CID 594596
3-Methyl-2-phenylquinoline-4-carboxylic acid
CID 673710
2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
6-Methyl-2-phenylquinoline-4-carboxylic acid
CID 698707
2-([1,1'-Biphenyl]-4-yl)quinoline-4-carboxylic Acid
CID 2063288
Acridine-9-carboxylic acid
CID 94721
6-Fluoro-2-[2-Methyl-4-Phenoxy-5-(Propan-2-Yl)phenyl]quinoline-4-Carboxylic Acid
CID 71816353
1-Benzoyl-5-methoxy-2-methylindole-3-acetic acid
CID 4177957

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(3-methoxyphenyl)quinoline-4-carboxylic acid (CID 673666) is 2-(3-methoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(3-methoxyphenyl)quinoline-4-carboxylic acid is COc1cccc(-c2cc(C(=O)O)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is YBOFRTWITLNSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-21-12-6-4-5-11(9-12)16-10-14(17(19)20)13-7-2-3-8-15(13)18-16/h2-10H,1H3,(H,19,20).
What are the key properties of 2-(3-methoxyphenyl)quinoline-4-carboxylic acid?
2-(3-methoxyphenyl)quinoline-4-carboxylic 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 2-(3-methoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 673666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).