4-bromo-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2-oxazole-3-carboxylic acid

C13H9BrN2O4 — CID 116858068

IUPAC4-bromo-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C1CCc2cc(-c3onc(C(=O)O)c3Br)ccc2N1
InChIInChI=1S/C13H9BrN2O4/c14-10-11(13(18)19)16-20-12(10)7-1-3-8-6(5-7)2-4-9(17)15-8/h1,3,5H,2,4H2,(H,15,17)(H,18,19)
InChIKeyDEUXCLNEUACTHL-UHFFFAOYSA-N
MW337.13 g/mol
LogP2.69
Rot. Bonds2

About 4-bromo-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2-oxazole-3-carboxylic acid

4-bromo-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 116858068) has the molecular formula C13H9BrN2O4 and a molecular weight of 337.13 g/mol. Its IUPAC name is 4-bromo-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-bromo-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID116858068
Molecular FormulaC13H9BrN2O4
Molecular Weight337.13 g/mol
Exact Mass335.97
IUPAC Name4-bromo-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C1CCc2cc(-c3onc(C(=O)O)c3Br)ccc2N1
InChIInChI=1S/C13H9BrN2O4/c14-10-11(13(18)19)16-20-12(10)7-1-3-8-6(5-7)2-4-9(17)15-8/h1,3,5H,2,4H2,(H,15,17)(H,18,19)
InChIKeyDEUXCLNEUACTHL-UHFFFAOYSA-N
XLogP2.69
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.13
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-pyrazole-5-carboxylic acid
CID 116858186
6-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 156522207
4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 102158832
6-(2-amino-4-ethyl-1,3-oxazol-5-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116832062
6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116897256
N-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide
CID 146216608
4-bromo-5-(4-ethylsulfanylphenyl)-1,2-oxazole-3-carboxylic acid
CID 116858090
6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 68591635
6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 107979594
3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid
CID 82482165
6-[6-(trifluoromethyl)-3-pyridinyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001469
N-(3-bromo-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103857166

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-bromo-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2-oxazole-3-carboxylic acid (CID 116858068) is 4-bromo-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-bromo-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-bromo-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2-oxazole-3-carboxylic acid is O=C1CCc2cc(-c3onc(C(=O)O)c3Br)ccc2N1.
What is the InChIKey of 4-bromo-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is DEUXCLNEUACTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O4/c14-10-11(13(18)19)16-20-12(10)7-1-3-8-6(5-7)2-4-9(17)15-8/h1,3,5H,2,4H2,(H,15,17)(H,18,19).
What are the key properties of 4-bromo-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2-oxazole-3-carboxylic acid?
4-bromo-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 337.13 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 116858068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).