Chemical ID: 4836582

Cc1cccc(c1)NC(=O)c2cc(nc3c2cccc3)N4CCCCC4
Chemical ID:
4836582
Name [?]:
N-(m-tolyl)-2-(1-piperidyl)quinoline-4-carboxamide
SMILES [?]:
Cc1cccc(c1)NC(=O)c2cc(nc3c2cccc3)N4CCCCC4
InChi [?]:
InChI=1/C22H23N3O/c1-16-8-7-9-17(14-16)23-22(26)19-15-21(25-12-5-2-6-13-25)24-20-11-4-3-10-18(19)20/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,24,18,19,23,25,4,3,5,17,20,22,26,7,12,2,6,16,11,15,13,9,8,14,21,10/E:(5,6)(12,13)/rA:26nCCCCCCCNCOCCCNCCCCCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;s13;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.5089
Area:555.14
Solvation:-2.36958
Coulombic:-35.1523
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:345.438
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.33
LogP (Chemaxon):5.34

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Descriptor Annotations

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