Chemical ID: 7305756

COc1ccccc1N2CCN(CC2)C(=O)c3cc(nc4c3cccc4)c5ccncc5
Chemical ID:
7305756
Name [?]:
[4-(2-methoxyphenyl)piperazin-1-yl]-[2-(4-pyridyl)-4-quinolyl]-methanone
SMILES [?]:
COc1ccccc1N2CCN(CC2)C(=O)c3cc(nc4c3cccc4)c5ccncc5
InChi [?]:
InChI=1/C26H24N4O2/c1-32-25-9-5-4-8-24(25)29-14-16-30(17-15-29)26(31)21-18-23(19-10-12-27-13-11-19)28-22-7-3-2-6-20(21)22/h2-13,18H,14-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,25,6,5,23,26,7,4,28,32,29,31,10,14,11,13,18,27,22,17,21,19,8,3,15,30,20,9,12,16,2/E:(10,11)(12,13)(14,15)(16,17)/rA:32nCOCCCCCCNCCNCCCOCCCNCCCCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;s19;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H24N4O2
All Atoms:56
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.6674
Area:643.671
Solvation:-5.42439
Coulombic:-41.4344
Bond Count [?]
All:36
Single:24
Double:12
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:424.495
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.17
LogP (Chemaxon):3.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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