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Molecule
Fenazaquin
CAS: 120928-09-8 · C20H22N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 120928-09-8
- Molecular Formula
- C20H22N2O
- Molecular Mass
- 306.41 g/mol
Identifiers
CAS Registry Number
120928-09-8
SMILES
CC(C)(C)c1ccc(CCOc2ncnc3ccccc23)cc1
InChI Key
DMYHGDXADUDKCQ-UHFFFAOYSA-N
InChI
InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3
Names and Synonyms
- Fenazaquin Synonym
- Quinazoline, 4-[2-[4-(1,1-dimethylethyl)phenyl]ethoxy]- Synonym
- 4-[2-[4-(1,1-Dimethylethyl)phenyl]ethoxy]quinazoline Synonym
- EL 436 Synonym
- Fenazachin Synonym
- Fenazaquin Synonym
- Magister Synonym
- XDE 436 Synonym
- Phenazaquin Synonym
- Magus Synonym
- Fenaza Synonym
- GWN 1708 Synonym
- Pride Ultra Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 306.41 g/mol | CAS Common Chemistry |
| 306.409 g/mol | RDKit | |
| Canonical SMILES | N=1C=NC=2C=CC=CC2C1OCCC3=CC=C(C=C3)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DMYHGDXADUDKCQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 78.5 °C | CAS Common Chemistry |
| Name | Fenazaquin | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 35.010000000000005 Ų | RDKit |
| 35.01 Ų | RDKit | |
| 33.95 Ų | chempirical lib | |
| LogP | 4.5488000000000035 | RDKit |
| 4.5488 | RDKit | |
| Molar Refractivity | 93.87900000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 306.17321332399996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 306.41 g/mol. Edit any field — others recompute live.
