7-azido-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

C12H9FN4O3 — CID 10989497

IUPAC7-azido-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(N=[N+]=[N-])cc21
InChIInChI=1S/C12H9FN4O3/c1-2-17-5-7(12(19)20)11(18)6-3-8(13)9(15-16-14)4-10(6)17/h3-5H,2H2,1H3,(H,19,20)
InChIKeyUZGPGFSWYHSHGW-UHFFFAOYSA-N
MW276.23 g/mol
LogP2.80
Rot. Bonds3

About 7-azido-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

7-azido-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 10989497) has the molecular formula C12H9FN4O3 and a molecular weight of 276.23 g/mol. Its IUPAC name is 7-azido-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-azido-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID10989497
Molecular FormulaC12H9FN4O3
Molecular Weight276.23 g/mol
Exact Mass276.07
IUPAC Name7-azido-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(N=[N+]=[N-])cc21
InChIInChI=1S/C12H9FN4O3/c1-2-17-5-7(12(19)20)11(18)6-3-8(13)9(15-16-14)4-10(6)17/h3-5H,2H2,1H3,(H,19,20)
InChIKeyUZGPGFSWYHSHGW-UHFFFAOYSA-N
XLogP2.80
TPSA108.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-6-fluoro-7-(hydroxyamino)-4-oxoquinoline-3-carboxylic acid
CID 14148324
1-ethyl-7-fluoro-6-iodo-4-oxoquinoline-3-carboxylic acid
CID 68795840
7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 30380123
1-ethyl-6-(18F)fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10892926
7-[2-[2-(2-carboxyethoxy)ethoxy]ethylamino]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 59822007
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrate
CID 19829982
7-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 3113821
7-(1,3-dihydroisoindol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 14795805
potassium;1-ethyl-6-fluoro-4-oxo-7-thiomorpholin-4-ylquinoline-3-carboxylic acid;hydride
CID 173371449
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
1-ethyl-6-fluoro-7-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 12733930
1-ethyl-6-fluoro-4-oxo-7-[2-(2-oxoethylamino)ethylamino]quinoline-3-carboxylic acid
CID 170455415

Frequently Asked Questions

What is the IUPAC name of 7-azido-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-azido-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CID 10989497) is 7-azido-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-azido-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-azido-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(F)c(N=[N+]=[N-])cc21.
What is the InChIKey of 7-azido-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is UZGPGFSWYHSHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O3/c1-2-17-5-7(12(19)20)11(18)6-3-8(13)9(15-16-14)4-10(6)17/h3-5H,2H2,1H3,(H,19,20).
What are the key properties of 7-azido-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
7-azido-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 276.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azido-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 10989497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).