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Chemical ID: 5977419

Cc1ccc2c(c1)c(cc(n2)c3ccc(cc3)OC)C(=O)N4CCN(CC4)c5cccc(c5)Cl

Chemical ID:

5977419

Name [?]:

[4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-6-methyl-4-quinolyl]-methanone

SMILES [?]:

Cc1ccc2c(c1)c(cc(n2)c3ccc(cc3)OC)C(=O)N4CCN(CC4)c5cccc(c5)Cl

InChi [?]:

InChI=1/C28H26ClN3O2/c1-19-6-11-26-24(16-19)25(18-27(30-26)20-7-9-23(34-2)10-8-20)28(33)32-14-12-31(13-15-32)22-5-3-4-21(29)17-22/h3-11,16-18H,12-15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,19,30,31,29,3,13,17,14,16,4,24,26,23,27,7,33,9,2,12,32,28,15,6,8,5,10,20,34,11,25,22,21,18/E:(7,8)(9,10)(12,13)(14,15)/rA:34nCCCCCCCCCCNCCCCCCOCCONCCNCCCCCCCCCl/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;d13;s14;d15;d12s16;s15;s18;s8;d20;s20;s22;s23;s24;s25;s22s26;s25;s28;d29;s30;d31;d28s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₆ClN₃O₂
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	13.3817
Area:	708.582
Solvation:	-4.33289
Coulombic:	-38.482

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	5
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	471.978
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	6.49
LogP (Chemaxon):	6.05

Name Annotations

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

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