7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid

C12H10BrNO3 — CID 50877261

IUPAC7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2ccc(Br)cc21
InChIInChI=1S/C12H10BrNO3/c1-2-14-6-9(12(16)17)11(15)8-4-3-7(13)5-10(8)14/h3-6H,2H2,1H3,(H,16,17)
InChIKeySCOXAWPITFXMAP-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.48
Rot. Bonds2

About 7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid

7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 50877261) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is 7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid
PubChem CID50877261
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Name7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2ccc(Br)cc21
InChIInChI=1S/C12H10BrNO3/c1-2-14-6-9(12(16)17)11(15)8-4-3-7(13)5-10(8)14/h3-6H,2H2,1H3,(H,16,17)
InChIKeySCOXAWPITFXMAP-UHFFFAOYSA-N
XLogP2.48
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-4-oxo-1-propylquinoline-3-carboxylic acid
CID 123972127
6-bromo-1-(2,2,2-trifluoroethyl)indole-3-carboxylic acid
CID 172674755
(6-bromo-1-ethylindol-3-yl)-(3-methylazetidin-1-yl)methanone
CID 172674672
2-(6-bromo-1-ethylindol-3-yl)propanoic acid
CID 117122253
7-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 3113821
3-(6-bromo-1-ethylindol-3-yl)propanoic acid
CID 117122264
1-ethyl-7-fluoro-6-iodo-4-oxoquinoline-3-carboxylic acid
CID 68795840
1-ethyl-7-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-4-oxoquinoline-3-carboxylic acid
CID 71660714
1-(6-bromo-1-ethylindol-3-yl)-2-(ethylamino)propan-1-one
CID 162765499
1-ethyl-6-fluoro-7-(hydroxyamino)-4-oxoquinoline-3-carboxylic acid
CID 14148324
1-ethyl-5-methylindole-3-carboxylic acid
CID 52911028
1-ethyl-7-[2-(methylamino)-1,3-thiazol-4-yl]-4-oxoquinoline-3-carboxylic acid
CID 14023666

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid (CID 50877261) is 7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2ccc(Br)cc21.
What is the InChIKey of 7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is SCOXAWPITFXMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c1-2-14-6-9(12(16)17)11(15)8-4-3-7(13)5-10(8)14/h3-6H,2H2,1H3,(H,16,17).
What are the key properties of 7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid?
7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 296.12 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 50877261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).