Fenazaquin

C₂₀H₂₂N₂OCAS 120928-09-8306.41 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₀H₂₂N₂O
Molar mass: 306.41 g/mol
Exact mass: 306.1732 Da
Density: 1.16 g/mL
Melting point: 78.5 °C
pKa: 2.44
Water solubility: 102 µg/L (20 °C)
logP: 4.55Crippen estimate
Polar surface area: 35.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H332 Harmful if inhaledAcute toxicity, inhalation
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 613-159-00-1), via PubChem.

Precautionary statements

P261, P264, P270, P271, P273, P301+P316, P304+P340, P317, P321, P330, P391, P405, P501

Identifiers

CAS number

120928-09-8

SMILES

CC(C)(C)c1ccc(CCOc2ncnc3ccccc23)cc1

InChIKey

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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names

Quinazoline, 4-[2-[4-(1,1-dimethylethyl)phenyl]ethoxy]-
4-[2-[4-(1,1-Dimethylethyl)phenyl]ethoxy]quinazoline
EL 436
Fenazachin
Magister
XDE 436
Phenazaquin
Magus
Fenaza
GWN 1708
Pride ultra

Work with Fenazaquin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Koumine1358-76-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook