Afloqualone

CAT: 1299-RM-A061700-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A061700-01Size:10 mg

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CAS Number

56287-74-2

Synonyms

6-Amino-2- (fluoromethyl) -3- (2-methylphenyl) -quinazolin-4-one

Molecular Formula

C16H14FN3O

Molecular Weight

283.3

Target Alternative Name

Afloqualone

Product Name Synonym

6-Amino-2- (fluoromethyl) -3- (2-methylphenyl) -quinazolin-4-one

Chemical Information

Afloqualone

Afloqualone is an organic molecular entity.

CAS Number	56287-74-2
PubChem CID	2040
IUPAC Name	6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one
Molecular Formula	C16H14FN3O
Molecular Weight	283.30
XLogP	2.2
Topological Polar Surface Area	58.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	439

SMILES

CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)N)CF

InChI

InChI=1S/C16H14FN3O/c1-10-4-2-3-5-14(10)20-15(9-17)19-13-7-6-11(18)8-12(13)16(20)21/h2-8H,9,18H2,1H3

InChIKey

VDOSWXIDETXFET-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56287-74-2

CID: 2040

Formula: C16H14FN3O

MW: 283.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	283.30
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	283.11209024
Monoisotopic Mass	283.11209024
Topological Polar Surface Area	58.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	439
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