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

C17H12BrNO3 — CID 998078

IUPAC6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)c1
InChIInChI=1S/C17H12BrNO3/c1-22-12-4-2-3-10(7-12)16-9-14(17(20)21)13-8-11(18)5-6-15(13)19-16/h2-9H,1H3,(H,20,21)
InChIKeyOSGMFZLPSOECIH-UHFFFAOYSA-N
MW358.19 g/mol
LogP4.37
Rot. Bonds3

About 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylic acid

6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 998078) has the molecular formula C17H12BrNO3 and a molecular weight of 358.19 g/mol. Its IUPAC name is 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
PubChem CID998078
Molecular FormulaC17H12BrNO3
Molecular Weight358.19 g/mol
Exact Mass357.00
IUPAC Name6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)c1
InChIInChI=1S/C17H12BrNO3/c1-22-12-4-2-3-10(7-12)16-9-14(17(20)21)13-8-11(18)5-6-15(13)19-16/h2-9H,1H3,(H,20,21)
InChIKeyOSGMFZLPSOECIH-UHFFFAOYSA-N
XLogP4.37
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylic acid (CID 998078) is 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylic acid is COc1cccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)c1.
What is the InChIKey of 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is OSGMFZLPSOECIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO3/c1-22-12-4-2-3-10(7-12)16-9-14(17(20)21)13-8-11(18)5-6-15(13)19-16/h2-9H,1H3,(H,20,21).
What are the key properties of 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylic acid?
6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 358.19 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 998078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).