ML311 2mg

CAT: 0628-A18364-2Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0628-A18364-2Size:2 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

315698-17-0

Chemical Information

7-[(4-Ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol

CAS Number	315698-17-0
PubChem CID	3384730
IUPAC Name	7-[(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
Molecular Formula	C23H24F3N3O
Molecular Weight	415.5
XLogP	4.4
Topological Polar Surface Area	39.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	30
Formal Charge	0
Complexity	544

SMILES

CCN1CCN(CC1)C(C2=CC=C(C=C2)C(F)(F)F)C3=C(C4=C(C=CC=N4)C=C3)O

InChI

InChI=1S/C23H24F3N3O/c1-2-28-12-14-29(15-13-28)21(17-5-8-18(9-6-17)23(24,25)26)19-10-7-16-4-3-11-27-20(16)22(19)30/h3-11,21,30H,2,12-15H2,1H3

InChIKey

NGAPBLRRJSKIRT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 315698-17-0

CID: 3384730

Formula: C23H24F3N3O

MW: 415.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	415.5
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	415.18714688
Monoisotopic Mass	415.18714688
Topological Polar Surface Area	39.6 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	544
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T5108-01	ML311