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Chemical ID: 3638852
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
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Experimental Annotations
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Descriptor Annotations
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