2-(6-bromoquinolin-3-yl)oxybutanoic acid

C13H12BrNO3 — CID 67322066

IUPAC2-(6-bromoquinolin-3-yl)oxybutanoic acid
SMILESCCC(Oc1cnc2ccc(Br)cc2c1)C(=O)O
InChIInChI=1S/C13H12BrNO3/c1-2-12(13(16)17)18-10-6-8-5-9(14)3-4-11(8)15-7-10/h3-7,12H,2H2,1H3,(H,16,17)
InChIKeyHAPBASKHXIYLOU-UHFFFAOYSA-N
MW310.15 g/mol
LogP3.24
Rot. Bonds4

About 2-(6-bromoquinolin-3-yl)oxybutanoic acid

2-(6-bromoquinolin-3-yl)oxybutanoic acid (PubChem CID 67322066) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-(6-bromoquinolin-3-yl)oxybutanoic acid.

Molecular Properties

Compound Name2-(6-bromoquinolin-3-yl)oxybutanoic acid
PubChem CID67322066
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Name2-(6-bromoquinolin-3-yl)oxybutanoic acid
SMILESCCC(Oc1cnc2ccc(Br)cc2c1)C(=O)O
InChIInChI=1S/C13H12BrNO3/c1-2-12(13(16)17)18-10-6-8-5-9(14)3-4-11(8)15-7-10/h3-7,12H,2H2,1H3,(H,16,17)
InChIKeyHAPBASKHXIYLOU-UHFFFAOYSA-N
XLogP3.24
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Quinolin-8-yloxy)acetic acid
CID 220785
6-Bromo-8-methoxyquinoline
CID 68605388
2-(Quinolin-8-yloxy)propanoic acid
CID 2893515
3-Bromoquinolin-6-yl acetate
CID 68530047
2-(Quinolin-8-yloxy)acetic acid hydrochloride
CID 16237020
Ethyl 2-(5,7-dibromoquinolin-8-yl)oxyacetate
CID 4140535
4-(Quinolin-8-yloxy)-butyric acid
CID 6471836
2-Quinolin-3-yloxyethanol
CID 102847036
Ethyl 2-(quinolin-8-yloxy)acetate
CID 4379860
5-Bromo-8-(2-hydroxyethyloxy)quinoline
CID 15209590
2-[(5,7-Dibromoquinolin-8-yl)oxy]acetic acid
CID 16778073
(3-Bromo-quinolin-6-yloxy)acetic acid methyl ester
CID 68713102

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoquinolin-3-yl)oxybutanoic acid?
The IUPAC name of 2-(6-bromoquinolin-3-yl)oxybutanoic acid (CID 67322066) is 2-(6-bromoquinolin-3-yl)oxybutanoic acid.
What is the SMILES notation for 2-(6-bromoquinolin-3-yl)oxybutanoic acid?
The canonical SMILES for 2-(6-bromoquinolin-3-yl)oxybutanoic acid is CCC(Oc1cnc2ccc(Br)cc2c1)C(=O)O.
What is the InChIKey of 2-(6-bromoquinolin-3-yl)oxybutanoic acid?
The InChIKey is HAPBASKHXIYLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3/c1-2-12(13(16)17)18-10-6-8-5-9(14)3-4-11(8)15-7-10/h3-7,12H,2H2,1H3,(H,16,17).
What are the key properties of 2-(6-bromoquinolin-3-yl)oxybutanoic acid?
2-(6-bromoquinolin-3-yl)oxybutanoic acid has a molecular weight of 310.15 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoquinolin-3-yl)oxybutanoic acid is sourced from PubChem (CID 67322066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).