Chemical ID: 3638852

Cc1ccc(c(c1)Br)NC(=O)c2cc(nc3c2cccc3)C
Chemical ID:
3638852
Name [?]:
N-(2-bromo-4-methyl-phenyl)-2-methyl-quinoline-4-carboxamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)c2cc(nc3c2cccc3)C
InChi [?]:
InChI=1/C18H15BrN2O/c1-11-7-8-17(15(19)9-11)21-18(22)14-10-12(2)20-16-6-4-3-5-13(14)16/h3-10H,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,19,20,18,21,3,4,7,13,2,14,17,12,6,16,5,10,8,15,9,11/rA:22nCCCCCCCBrNCOCCCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15BrN2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.5144
Area:496.511
Solvation:-1.89837
Coulombic:-28.1471
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):3.97

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue