2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetic acid

C11H8BrNO3 — CID 83665751

IUPAC2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetic acid
SMILESO=C(O)Cc1cc(=O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H8BrNO3/c12-7-1-2-9-8(5-7)6(4-11(15)16)3-10(14)13-9/h1-3,5H,4H2,(H,13,14)(H,15,16)
InChIKeyIYFQNTNCKWROON-UHFFFAOYSA-N
MW282.09 g/mol
LogP1.92
Rot. Bonds2

About 2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetic acid

2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetic acid (PubChem CID 83665751) has the molecular formula C11H8BrNO3 and a molecular weight of 282.09 g/mol. Its IUPAC name is 2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetic acid
PubChem CID83665751
Molecular FormulaC11H8BrNO3
Molecular Weight282.09 g/mol
Exact Mass280.97
IUPAC Name2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetic acid
SMILESO=C(O)Cc1cc(=O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C11H8BrNO3/c12-7-1-2-9-8(5-7)6(4-11(15)16)3-10(14)13-9/h1-3,5H,4H2,(H,13,14)(H,15,16)
InChIKeyIYFQNTNCKWROON-UHFFFAOYSA-N
XLogP1.92
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetate
CID 165461365
6-bromo-4-naphthalen-1-yl-1H-quinolin-2-one
CID 25258121
2-(5-bromo-1H-indol-3-yl)acetic acid;2-(5-bromo-1H-indol-3-yl)-2-oxoacetic acid
CID 161121014
2-[2-(1,3-benzodioxol-5-yl)-5-bromo-1H-indol-3-yl]acetic acid
CID 5126249
6-bromo-4-(3-prop-2-enoylphenyl)-1H-quinolin-2-one
CID 168914775
1-(5-bromo-3-methyl-1H-indol-2-yl)propan-2-one
CID 82667214
6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 82249314
5-bromo-3-fluoro-1H-indole-2-carboxylic acid
CID 83853706
6-bromo-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 120828627
2-[5-bromo-2-(2-phenylbenzoyl)-1H-indol-3-yl]acetic acid
CID 68979043
2-(9-bromo-1-oxo-2H-benzo[h]isoquinolin-6-yl)acetic acid
CID 15982886
2-(7-bromo-4-oxo-1H-cinnolin-3-yl)acetic acid
CID 163323332

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetic acid?
The IUPAC name of 2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetic acid (CID 83665751) is 2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetic acid?
The canonical SMILES for 2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetic acid is O=C(O)Cc1cc(=O)[nH]c2ccc(Br)cc12.
What is the InChIKey of 2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetic acid?
The InChIKey is IYFQNTNCKWROON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3/c12-7-1-2-9-8(5-7)6(4-11(15)16)3-10(14)13-9/h1-3,5H,4H2,(H,13,14)(H,15,16).
What are the key properties of 2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetic acid?
2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetic acid has a molecular weight of 282.09 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetic acid is sourced from PubChem (CID 83665751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).