Chemical ID: 7097100

Cc1ccc2c(c1)c(cc(n2)C)C(=O)Nc3ccc(cc3)Br
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

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