CAS 50693-78-2 | 4-Methyl-2-(piperazin-1-yl);quinoline | CAS Number 50693-78-2

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50693-78-2 | 4-Methyl-2-(piperazin-1-yl);quinoline

CAS No: 50693-78-2 Catalog No: AG003LPW MDL No:MFCD00818513

Product Description

Catalog Number:

AG003LPW

Chemical Name:

4-Methyl-2-(piperazin-1-yl);quinoline

CAS Number:

50693-78-2

Molecular Formula:

C14H17N3

Molecular Weight:

227.3049

MDL Number:

MFCD00818513

IUPAC Name:

4-methyl-2-piperazin-1-ylquinoline

InChI:

InChI=1S/C14H17N3/c1-11-10-14(17-8-6-15-7-9-17)16-13-5-3-2-4-12(11)13/h2-5,10,15H,6-9H2,1H3

InChI Key:

LCRABWZMGNEZJV-UHFFFAOYSA-N

SMILES:

Cc1cc(nc2c1cccc2)N1CCNCC1

Properties

Complexity:

250

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.311g/mol

Monoisotopic Mass:

227.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501