Chemical ID: 6554627

CC(C(c1ccccc1)N2CCOCC2)NC(=O)c3cc(nc4c3cccc4)c5ccc(cc5)OC
Chemical ID:
6554627
Name [?]:
2-(4-methoxyphenyl)-N-(1-methyl-2-morpholino-2-phenyl-ethyl)-quinoline-4-carboxamide
SMILES [?]:
CC(C(c1ccccc1)N2CCOCC2)NC(=O)c3cc(nc4c3cccc4)c5ccc(cc5)OC
InChi [?]:
InChI=1/C30H31N3O3/c1-21(29(23-8-4-3-5-9-23)33-16-18-36-19-17-33)31-30(34)26-20-28(22-12-14-24(35-2)15-13-22)32-27-11-7-6-10-25(26)27/h3-15,20-21,29H,16-19H2,1-2H3,(H,31,34)
InChi Info:
AuxInfo=1/1/N:1,36,7,6,8,26,27,5,9,25,28,30,34,31,33,11,15,12,14,20,2,29,4,32,24,19,23,21,3,17,16,22,10,18,35,13/E:(4,5)(8,9)(12,13)(14,15)(16,17)(18,19)/rA:36cCCCCCCCCCNCCOCCNCOCCCNCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;s10;s11;s12;s13;s10s14;s2;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;d25;s26;s23d27;s21;s29;d30;s31;d32;d29s33;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H31N3O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:2
ZAP Information [?]
Total:12.4765
Area:715.489
Solvation:-5.41075
Coulombic:-51.0166
Bond Count [?]
All:40
Single:28
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:481.586
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.2
LogP (Chemaxon):4.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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