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Chemical ID: 6806218
Chemical ID:
6806218
Name [?]:
N-(1-methyl-3-phenyl-propyl)-2-(4-pyridyl)quinoline-4-carboxamide
SMILES [?]:
CC(CCc1ccccc1)NC(=O)c2cc(nc3c2cccc3)c4ccncc4
InChi [?]:
InChI=1/C25H23N3O/c1-18(11-12-19-7-3-2-4-8-19)27-25(29)22-17-24(20-13-15-26-16-14-20)28-23-10-6-5-9-21(22)23/h2-10,13-18H,11-12H2,1H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,8,7,9,21,22,6,10,20,23,3,4,25,29,26,28,15,2,5,24,19,14,18,16,12,27,11,17,13/E:(3,4)(7,8)(13,14)(15,16)/rA:29cCCCCCCCCCCNCOCCCNCCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;s16;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H23N3O |
All Atoms: | 52 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.6123 |
Area: | 629.156 |
Solvation: | -3.11661 |
Coulombic: | -34.4938 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 381.47 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.99 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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