8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid

C13H10BrNO4 — CID 82213036

IUPAC8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid
SMILESCC(=O)Cn1c(=O)ccc2cc(C(=O)O)cc(Br)c21
InChIInChI=1S/C13H10BrNO4/c1-7(16)6-15-11(17)3-2-8-4-9(13(18)19)5-10(14)12(8)15/h2-5H,6H2,1H3,(H,18,19)
InChIKeySDVLOIPVDZCORT-UHFFFAOYSA-N
MW324.13 g/mol
LogP2.05
Rot. Bonds3

About 8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid

8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid (PubChem CID 82213036) has the molecular formula C13H10BrNO4 and a molecular weight of 324.13 g/mol. Its IUPAC name is 8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid
PubChem CID82213036
Molecular FormulaC13H10BrNO4
Molecular Weight324.13 g/mol
Exact Mass322.98
IUPAC Name8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid
SMILESCC(=O)Cn1c(=O)ccc2cc(C(=O)O)cc(Br)c21
InChIInChI=1S/C13H10BrNO4/c1-7(16)6-15-11(17)3-2-8-4-9(13(18)19)5-10(14)12(8)15/h2-5H,6H2,1H3,(H,18,19)
InChIKeySDVLOIPVDZCORT-UHFFFAOYSA-N
XLogP2.05
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid?
The IUPAC name of 8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid (CID 82213036) is 8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid.
What is the SMILES notation for 8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid?
The canonical SMILES for 8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid is CC(=O)Cn1c(=O)ccc2cc(C(=O)O)cc(Br)c21.
What is the InChIKey of 8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid?
The InChIKey is SDVLOIPVDZCORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO4/c1-7(16)6-15-11(17)3-2-8-4-9(13(18)19)5-10(14)12(8)15/h2-5H,6H2,1H3,(H,18,19).
What are the key properties of 8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid?
8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid has a molecular weight of 324.13 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-oxo-1-(2-oxopropyl)quinoline-6-carboxylic acid is sourced from PubChem (CID 82213036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).