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Chemical ID: 6182699

c1ccc(cc1)c2cc(nc3c2cc(cc3)Cl)N4CCN(CC4)c5ccccc5

Chemical ID:

6182699

Name [?]:

6-chloro-4-phenyl-2-(4-phenylpiperazin-1-yl)-quinoline

SMILES [?]:

c1ccc(cc1)c2cc(nc3c2cc(cc3)Cl)N4CCN(CC4)c5ccccc5

InChi [?]:

InChI=1/C25H22ClN3/c26-20-11-12-24-23(17-20)22(19-7-3-1-4-8-19)18-25(27-24)29-15-13-28(14-16-29)21-9-5-2-6-10-21/h1-12,17-18H,13-16H2

InChi Info:

AuxInfo=1/0/N:1,27,2,6,26,28,3,5,25,29,15,16,20,22,19,23,13,8,4,14,24,7,12,11,9,17,10,21,18/E:(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)/rA:29nCCCCCCCCCNCCCCCCClNCCNCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s12;d13;s14;s11d15;s14;s9;s18;s19;s20;s21;s18s22;s21;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₂ClN₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.9117
Area:	614.2
Solvation:	-2.44332
Coulombic:	-22.6803

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	399.915
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	7.43
LogP (Chemaxon):	7.26

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value