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Chemical ID: 6353045
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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