4-bromo-2-quinolin-3-yloxybenzoic acid

C16H10BrNO3 — CID 107387489

IUPAC4-bromo-2-quinolin-3-yloxybenzoic acid
SMILESO=C(O)c1ccc(Br)cc1Oc1cnc2ccccc2c1
InChIInChI=1S/C16H10BrNO3/c17-11-5-6-13(16(19)20)15(8-11)21-12-7-10-3-1-2-4-14(10)18-9-12/h1-9H,(H,19,20)
InChIKeyLJTUPKFZNMCGNV-UHFFFAOYSA-N
MW344.16 g/mol
LogP4.49
Rot. Bonds3

About 4-bromo-2-quinolin-3-yloxybenzoic acid

4-bromo-2-quinolin-3-yloxybenzoic acid (PubChem CID 107387489) has the molecular formula C16H10BrNO3 and a molecular weight of 344.16 g/mol. Its IUPAC name is 4-bromo-2-quinolin-3-yloxybenzoic acid.

Molecular Properties

Compound Name4-bromo-2-quinolin-3-yloxybenzoic acid
PubChem CID107387489
Molecular FormulaC16H10BrNO3
Molecular Weight344.16 g/mol
Exact Mass342.98
IUPAC Name4-bromo-2-quinolin-3-yloxybenzoic acid
SMILESO=C(O)c1ccc(Br)cc1Oc1cnc2ccccc2c1
InChIInChI=1S/C16H10BrNO3/c17-11-5-6-13(16(19)20)15(8-11)21-12-7-10-3-1-2-4-14(10)18-9-12/h1-9H,(H,19,20)
InChIKeyLJTUPKFZNMCGNV-UHFFFAOYSA-N
XLogP4.49
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-quinoxalin-2-yloxybenzoic acid
CID 62360418
2-amino-3-quinolin-3-yloxybenzoic acid
CID 107387664
(4-bromo-2-quinolin-3-yloxyphenyl)methanamine
CID 107386867
2-chloro-6-quinolin-3-yloxybenzoic acid
CID 107387494
3-amino-4-quinolin-3-yloxybenzoic acid
CID 107387663
3-quinolin-3-yloxypyridazine-4-carboxylic acid
CID 107387979
4-bromo-2-(5-iodopyrimidin-2-yl)oxybenzoic acid
CID 116649333
4-bromo-2-(3-methylphenoxy)benzoic acid
CID 43364853
4-bromo-2-[3-(dimethylamino)phenoxy]benzoic acid
CID 61229870
4-bromo-2-(3-ethoxyphenoxy)benzoic acid
CID 62335777
1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone
CID 107386877
4-bromo-2-(3-bromo-4-fluorophenoxy)benzoic acid
CID 83234465

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-quinolin-3-yloxybenzoic acid?
The IUPAC name of 4-bromo-2-quinolin-3-yloxybenzoic acid (CID 107387489) is 4-bromo-2-quinolin-3-yloxybenzoic acid.
What is the SMILES notation for 4-bromo-2-quinolin-3-yloxybenzoic acid?
The canonical SMILES for 4-bromo-2-quinolin-3-yloxybenzoic acid is O=C(O)c1ccc(Br)cc1Oc1cnc2ccccc2c1.
What is the InChIKey of 4-bromo-2-quinolin-3-yloxybenzoic acid?
The InChIKey is LJTUPKFZNMCGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO3/c17-11-5-6-13(16(19)20)15(8-11)21-12-7-10-3-1-2-4-14(10)18-9-12/h1-9H,(H,19,20).
What are the key properties of 4-bromo-2-quinolin-3-yloxybenzoic acid?
4-bromo-2-quinolin-3-yloxybenzoic acid has a molecular weight of 344.16 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-quinolin-3-yloxybenzoic acid is sourced from PubChem (CID 107387489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).