PF 9366

CAT: 0926-BP164086-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-BP164086-01Size:10 mg

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CAS Number

72882-78-1

Synonyms

7-Chloro-N, N-dimethyl-5-phenyl[1,2,4]triazolo[4,3-a]quinoline-1-ethanamine

MDL Number

MFCD31630724

Smiles

CN (C) CCC1=NN=C2N1C3=C (C=C (C=C3) Cl) C (=C2) C4=CC=CC=C4

Molecular Formula

C20H19ClN4

Molecular Weight

350.84 g/mol

Controlled

Chemical Information

2-(7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine

CAS Number	72882-78-1
PubChem CID	12612431
IUPAC Name	2-(7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethanamine
Molecular Formula	C20H19ClN4
Molecular Weight	350.8
XLogP	5.1
Topological Polar Surface Area	33.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	439

SMILES

CN(C)CCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=C2)C4=CC=CC=C4

InChI

InChI=1S/C20H19ClN4/c1-24(2)11-10-19-22-23-20-13-16(14-6-4-3-5-7-14)17-12-15(21)8-9-18(17)25(19)20/h3-9,12-13H,10-11H2,1-2H3

InChIKey

LYLASWLQCMKZAT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 72882-78-1

CID: 12612431

Formula: C20H19ClN4

MW: 350.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	350.8
XLogP3	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	350.1298243
Monoisotopic Mass	350.1298243
Topological Polar Surface Area	33.4 Å²
Heavy Atom Count	25
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