7-(1,3-benzoxazol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

C19H13FN2O4 — CID 10831805

IUPAC7-(1,3-benzoxazol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3nc4ccccc4o3)cc21
InChIInChI=1S/C19H13FN2O4/c1-2-22-9-12(19(24)25)17(23)11-7-13(20)10(8-15(11)22)18-21-14-5-3-4-6-16(14)26-18/h3-9H,2H2,1H3,(H,24,25)
InChIKeyUFWGDUVCVGZHDW-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.67
Rot. Bonds3

About 7-(1,3-benzoxazol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

7-(1,3-benzoxazol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 10831805) has the molecular formula C19H13FN2O4 and a molecular weight of 352.32 g/mol. Its IUPAC name is 7-(1,3-benzoxazol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(1,3-benzoxazol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID10831805
Molecular FormulaC19H13FN2O4
Molecular Weight352.32 g/mol
Exact Mass352.09
IUPAC Name7-(1,3-benzoxazol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3nc4ccccc4o3)cc21
InChIInChI=1S/C19H13FN2O4/c1-2-22-9-12(19(24)25)17(23)11-7-13(20)10(8-15(11)22)18-21-14-5-3-4-6-16(14)26-18/h3-9H,2H2,1H3,(H,24,25)
InChIKeyUFWGDUVCVGZHDW-UHFFFAOYSA-N
XLogP3.67
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-6-fluoro-7-(hydroxyamino)-4-oxoquinoline-3-carboxylic acid
CID 14148324
1-ethyl-6-fluoro-7-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 142486682
3-(1,3-benzoxazol-2-yl)-7-chloro-1-ethyl-6-morpholin-4-ylquinolin-4-one
CID 141190188
1-ethyl-7-fluoro-6-iodo-4-oxoquinoline-3-carboxylic acid
CID 68795840
1-ethyl-6-(18F)fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10892926
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrate
CID 19829982
1-ethyl-6-fluoro-4-oxo-7-[2-(propylaminomethyl)-1,3-thiazol-4-yl]quinoline-3-carboxylic acid
CID 14023658
7-azido-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 10989497
1-ethyl-6-fluoro-7-[4-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 175113016
1-ethyl-6-fluoro-7-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 56931572
1-ethyl-6-fluoro-7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-4-oxoquinoline-3-carboxylic acid
CID 21289019
7-[4-[(6-bromo-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 127027189

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzoxazol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-(1,3-benzoxazol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CID 10831805) is 7-(1,3-benzoxazol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-(1,3-benzoxazol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-(1,3-benzoxazol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3nc4ccccc4o3)cc21.
What is the InChIKey of 7-(1,3-benzoxazol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is UFWGDUVCVGZHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O4/c1-2-22-9-12(19(24)25)17(23)11-7-13(20)10(8-15(11)22)18-21-14-5-3-4-6-16(14)26-18/h3-9H,2H2,1H3,(H,24,25).
What are the key properties of 7-(1,3-benzoxazol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
7-(1,3-benzoxazol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 352.32 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzoxazol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 10831805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).