8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid

C11H8BrNO4 — CID 165352016

IUPAC8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1ccc2cc(C(=O)O)c(=O)[nH]c2c1Br
InChIInChI=1S/C11H8BrNO4/c1-17-7-3-2-5-4-6(11(15)16)10(14)13-9(5)8(7)12/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyRXVNOOJJPUKZFE-UHFFFAOYSA-N
MW298.09 g/mol
LogP2.00
Rot. Bonds2

About 8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid

8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 165352016) has the molecular formula C11H8BrNO4 and a molecular weight of 298.09 g/mol. Its IUPAC name is 8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID165352016
Molecular FormulaC11H8BrNO4
Molecular Weight298.09 g/mol
Exact Mass296.96
IUPAC Name8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1ccc2cc(C(=O)O)c(=O)[nH]c2c1Br
InChIInChI=1S/C11H8BrNO4/c1-17-7-3-2-5-4-6(11(15)16)10(14)13-9(5)8(7)12/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyRXVNOOJJPUKZFE-UHFFFAOYSA-N
XLogP2.00
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.09
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690286
8-bromo-7-methoxy-1H-quinolin-2-one
CID 169499503
6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22649364
N-tert-butyl-8-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carboxamide
CID 142970056
7-chloro-8-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 6501545
N-tert-butyl-7-methoxy-2-oxo-8-phenylmethoxy-1H-quinoline-3-carboxamide
CID 142970025
2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid
CID 141025690
3,4,6,7-tetramethoxyphenanthrene-9-carboxylic acid
CID 141397610
8-bromo-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid
CID 114553154
7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
CID 11573063
N-tert-butyl-7-methoxy-2-oxo-8-phenacyloxy-1H-quinoline-3-carboxamide
CID 142970370
ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate
CID 22509332

Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid (CID 165352016) is 8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid is COc1ccc2cc(C(=O)O)c(=O)[nH]c2c1Br.
What is the InChIKey of 8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is RXVNOOJJPUKZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO4/c1-17-7-3-2-5-4-6(11(15)16)10(14)13-9(5)8(7)12/h2-4H,1H3,(H,13,14)(H,15,16).
What are the key properties of 8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid?
8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 298.09 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 165352016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).