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Chemical ID: 7097100
Chemical ID:
7097100
Name [?]:
N-(4-bromophenyl)-2,6-dimethyl-quinoline-4-carboxamide
SMILES [?]:
Cc1ccc2c(c1)c(cc(n2)C)C(=O)Nc3ccc(cc3)Br
InChi [?]:
InChI=1/C18H15BrN2O/c1-11-3-8-17-15(9-11)16(10-12(2)20-17)18(22)21-14-6-4-13(19)5-7-14/h3-10H,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,12,3,18,20,17,21,4,7,9,2,10,19,16,6,8,5,13,22,11,15,14/E:(4,5)(6,7)/rA:22nCCCCCCCCCCNCCONCCCCCCBr/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s8;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15BrN2O |
All Atoms: | 37 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4485 |
Area: | 501.775 |
Solvation: | -2.0959 |
Coulombic: | -27.5027 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 355.229 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.65 |
LogP (Chemaxon): | 4.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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