Chemical ID: 7097099

Cc1ccc2c(c1)c(cc(n2)C)C(=O)Nc3ccc(cc3Br)C
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

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Descriptor Annotations

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