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Chemical ID: 7097099
Chemical ID:
7097099
Name [?]:
N-(2-bromo-4-methyl-phenyl)-2,6-dimethyl-quinoline-4-carboxamide
SMILES [?]:
Cc1ccc2c(c1)c(cc(n2)C)C(=O)Nc3ccc(cc3Br)C
InChi [?]:
InChI=1/C19H17BrN2O/c1-11-4-6-17-14(8-11)15(10-13(3)21-17)19(23)22-18-7-5-12(2)9-16(18)20/h4-10H,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,12,3,18,4,17,7,20,9,2,19,10,6,8,21,5,16,13,22,11,15,14/rA:23nCCCCCCCCCCNCCONCCCCCCBrC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s8;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17BrN2O |
All Atoms: | 40 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0389 |
Area: | 519.229 |
Solvation: | -1.9418 |
Coulombic: | -27.8048 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 369.255 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.08 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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