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Enoxacin
CAS: 74011-58-8 | C15H17FN4O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
74011-58-8
Molecular Formula:
C15H17FN4O3
Molecular Mass:
320.32 g/mol
Names and Synonyms:
Enoxacin
1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-naphthyridine-3-carboxylic acid
AT 2266
Enoxacin
Enoxacine
Flumark
Penetrex
Penetrex (pharmaceutical)
Enoksetin
PD 107779
CI 919
NSC 629661
Enofloxacin
ENOXOR
Enofloxacine
1-Ethyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-yl-1,8-naphthyridine-3-carboxylate
1-Ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
Identifiers:
SMILES:
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
InChI:
InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)
Key Properties
Melting Point
220-224 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 320.32 g/mol | CAS Common Chemistry |
| 320.324 g/mol | RDKit | |
| 320.12846862400005 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1=CN(C2=NC(=C(F)C=C2C1=O)N3CCNCC3)CC | CAS Common Chemistry |
| InChI | InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23) | CAS Common Chemistry |
| InChI Key | InChIKey=IDYZIJYBMGIQMJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 220-224 °C | CAS Common Chemistry |
| Name | Enoxacin | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 87.46000000000001 Ų | RDKit |
| LogP | 0.6633000000000002 | RDKit |
| Molar Refractivity | 83.67700000000002 | RDKit |
