VUFB-9507

6-chloro-3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)quinazolin-3-ium;chloride;hydrochloride

Also Known As: VUFB-9507|Quinazolinium, 6-chloro-3-hydroxy-2-((4-methyl-1-piperazinyl)methyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, chloride, monohydrochloride, hydrate|6-Chloro-3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)quinazolin-3-ium chloride--hydrogen chloride (1/1/1)|6-chloro-3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)quinazolin-3-ium chloride hydrochloride|6-chloro-3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)quinazolin-3-ium,chloride,hydrochloride

Molecular Formula	C25H31Cl3N4O
Molecular Weight	508.15634 g/mol
LogP	1.5221
Topological Polar Surface Area	43.48 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	508.15634
Monoisotopic Mass	508.15634
Heavy Atoms	33
Complexity	1116.4926

Chemical Identifiers

CAS Number	74422-39-2
SMILES	CN1CCN(CC1)CC2=NC3=C(C=C(C=C3)Cl)C(=[N+]2O)C4=CC5=C(CCCCC5)C=C4.Cl.[Cl-]