Chemical ID: 6353045

COc1cccc(c1)c2cc(c3ccccc3n2)C(=O)NCc4ccccc4
Chemical ID:
6353045
Name [?]:
N-benzyl-2-(3-methoxyphenyl)-quinoline-4-carboxamide
SMILES [?]:
COc1cccc(c1)c2cc(c3ccccc3n2)C(=O)NCc4ccccc4
InChi [?]:
InChI=1/C24H20N2O2/c1-28-19-11-7-10-18(14-19)23-15-21(20-12-5-6-13-22(20)26-23)24(27)25-16-17-8-3-2-4-9-17/h2-15H,16H2,1H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,14,15,5,24,28,6,4,13,16,8,10,22,23,7,3,12,11,17,9,19,21,18,20,2/E:(3,4)(8,9)/rA:28nCOCCCCCCCCCCCCCCCNCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s11;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20N2O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.4039
Area:606.681
Solvation:-3.76317
Coulombic:-37.7456
Bond Count [?]
All:31
Single:19
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:368.428
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.18
LogP (Chemaxon):4.64

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