Etaqualone

CAT: 1596-AR-E01981-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E01981-06Size:250 Units

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CAS Number

7432-25-9

Synonyms

3- (2-ethylphenyl) -2-methylquinazolin-4 (3H) -one; Etaqualone; Athinazone; Ethinazone

Molecular Formula

C17H16N2O

Molecular Weight

264.33

API Name

Etaqualone

Chemical Information

3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone

Etaqualone is a member of quinazolines.

CAS Number	7432-25-9
PubChem CID	23914
IUPAC Name	3-(2-ethylphenyl)-2-methylquinazolin-4-one
Molecular Formula	C17H16N2O
Molecular Weight	264.32
XLogP	2.9
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	404

SMILES

CCC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C17H16N2O/c1-3-13-8-4-7-11-16(13)19-12(2)18-15-10-6-5-9-14(15)17(19)20/h4-11H,3H2,1-2H3

InChIKey

UVTJKLLUVOTSOB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7432-25-9

CID: 23914

Formula: C17H16N2O

MW: 264.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	264.32
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	264.126263138
Monoisotopic Mass	264.126263138
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	404
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
CS-O-01480	Etaqualone
275051-01	Etaqualone hydrochloride
MBS5779036	3-Ethylphenyl etaqualone
011315	Etaqualone-d3 Hydrochloride (Major)