Chemical ID: 6348533

c1ccc(cc1)CCNC(=O)c2cc(nc3c2cccc3)c4ccccc4Cl
Chemical ID:
6348533
Name [?]:
2-(2-chlorophenyl)-N-phenethyl-quinoline-4-carboxamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)c2cc(nc3c2cccc3)c4ccccc4Cl
InChi [?]:
InChI=1/C24H19ClN2O/c25-21-12-6-4-11-19(21)23-16-20(18-10-5-7-13-22(18)27-23)24(28)26-15-14-17-8-2-1-3-9-17/h1-13,16H,14-15H2,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,19,25,20,3,5,18,23,26,21,7,8,13,4,17,22,12,27,16,14,10,28,9,15,11/E:(2,3)(8,9)/rA:28nCCCCCCCCNCOCCCNCCCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;s14;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19ClN2O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.4754
Area:604.873
Solvation:-2.64643
Coulombic:-31.3711
Bond Count [?]
All:31
Single:19
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:386.873
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.05
LogP (Chemaxon):5.66

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Descriptor Annotations

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