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Molecule
Enoxacin
CAS: 74011-58-8 · C15H17FN4O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 74011-58-8
- Molecular Formula
- C15H17FN4O3
- Molecular Mass
- 320.32 g/mol
Identifiers
CAS Registry Number
74011-58-8
SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
InChI Key
IDYZIJYBMGIQMJ-UHFFFAOYSA-N
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)
Names and Synonyms
- Enoxacin Synonym
- 1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)- Synonym
- 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-naphthyridine-3-carboxylic acid Synonym
- AT 2266 Synonym
- Enoxacin Synonym
- Enoxacine Synonym
- Flumark Synonym
- Penetrex Synonym
- Penetrex (pharmaceutical) Synonym
- Enoksetin Synonym
- PD 107779 Synonym
- CI 919 Synonym
- NSC 629661 Synonym
- Enofloxacin Synonym
- ENOXOR Synonym
- Enofloxacine Synonym
- 1-Ethyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-yl-1,8-naphthyridine-3-carboxylate Synonym
- 1-Ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 320.32 g/mol | CAS Common Chemistry |
| 320.324 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 |
| 5 | RDKit | |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 87.46000000000001 Ų | RDKit |
| 87.46 Ų | RDKit | |
| 93.77 Ų | chempirical lib | |
| LogP | 0.6633000000000002 | RDKit |
| 0.6633 | RDKit | |
| Molar Refractivity | 83.67700000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 320.12846862400005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 320.32 g/mol. Edit any field — others recompute live.
