AG00I808

4085-31-8 | Quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis[7-chloro-

AG00I808

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CAS Number	4085-31-8
Catalog Number	AG00I808(AGN-PC-088NL8)
Chemical Name	Quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis[7-chloro-
IUPAC Name	7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline
InChI	InChI=1S/C29H32Cl2N6/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29/h2-9,20-21H,1,10-19H2
InChI Key	UCRHFBCYFMIWHC-UHFFFAOYSA-N
MDL Number	MFCD01237079
Molecular Formula	C29H32Cl2N6
Molecular Weight	535.5106
SMILES	ClC1=CC=C2C(N3CCN(CCCN4CCN(C5=CC=NC6=CC(Cl)=CC=C56)CC4)CC3)=CC=NC2=C1
UNII	A0HV2Q956Y
Synonyms	1,3-bis(1-(7-chloro-4'-quinolyl)-4'-piperazinyl)propane, 1,3-bis(4-(7'-chloro-4'-quinoline)-1-piperazine), piperaquine, piperaquine, Piperaquine phosphate, 4085-31-8, Piperaquinoline, UNII-A0HV2Q956Y, Piperaquine tetraphosphate, BRN 0905079, A0HV2Q956Y, 4,4'-(propane-1,3-diyldipiperazine-4,1-diyl)bis(7-chloroquinoline), 1,3-Bis(4-(7-chloroquinolin-4-yl)piperazin-1-yl)propane, Quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis[7-chloro-, 7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline, Quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloro-, Quinoline, 4,4'-(trimethylenedi-4,1-piperazinediyl)bis(7-chloro-, MFCD11870901, 911061-10-4, 1,3-bis[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propane, C29H32Cl2N6, 7-chloro-4-(4-{3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl}piperazin-1-yl)quinoline, PubChem15392, 915967-82-7, AC1L3UA1, AC1Q3T7B, 5-23-03-00072 (Beilstein Handbook Reference), SCHEMBL131649, 1,3-bis(4-(7'-chloro-4'-quinoline)-1-piperazine), CHEMBL303933, CHEBI:91231, GTPL10025, 1,3-bis(1-(7-chloro-4'-quinolyl)-4'-piperazinyl)propane, DTXSID00193825, BCP09615, ZINC26251015, AKOS015896173, Pireraquine tetraphosphate tetrahydrate, Quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloro-), API0009269, SB19150, NCGC00344515-02, BC658522, AX8271983, LS-142194, FT-0082661, FT-0650576, 085P318, A825322, I06-1673, 4,4'-(1,3-Propanediydi-4,1-piper-azinediyl)bis[7-chloroquinoline], 4,4'-(1,3-Propanediyldi-4,1-piperazinediyl)bis[7-chloroquinoline] Tetraphosphate, 7-chloro-4-[4-[3-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]propyl]-1-piperazinyl]quinoline, 7-chloro-4-[4-[3-[4-(7-chloro-4-quinolyl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline, Quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloro- (9CI), 7-chloranyl-4-[4-[3-[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline, UNII-IHB5WLO51Q, D0P0SZ, C29-H32-Cl2-N6, AR-1F7471, CID122262, ACN-048723, 1692B, Quinoline, 4,4'-(1,3-propanediyldi-4,1-piperazinediyl)bis(7-chloro-(9CI), 83764-65-2, 919-62-0,

Complexity	655
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	534.207g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	535.517g/mol
Monoisotopic Mass	534.207g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	38.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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