Spautin-1

CAT: 0024-sc-507306Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-507306Size:10 mg

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CAS Number

1262888-28-7

Chemical Information

Spautin-1

an autophagy inhibitor; structure in first source

CAS Number	1262888-28-7
PubChem CID	51037431
IUPAC Name	6-fluoro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine
Molecular Formula	C15H11F2N3
Molecular Weight	271.26
XLogP	3.6
Topological Polar Surface Area	37.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	307

SMILES

C1=CC(=CC=C1CNC2=NC=NC3=C2C=C(C=C3)F)F

InChI

InChI=1S/C15H11F2N3/c16-11-3-1-10(2-4-11)8-18-15-13-7-12(17)5-6-14(13)19-9-20-15/h1-7,9H,8H2,(H,18,19,20)

InChIKey

AWIVHRPYFSSVOG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1262888-28-7

CID: 51037431

Formula: C15H11F2N3

MW: 271.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	271.26
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	271.09210369
Monoisotopic Mass	271.09210369
Topological Polar Surface Area	37.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	307
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
B5873-10	Spautin-1
256722-01	Spautin 1