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Chemical ID: 4773209
Chemical ID:
4773209
Name [?]:
N-(2-methyl-6-quinolyl)benzamide
SMILES [?]:
Cc1ccc2cc(ccc2n1)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C17H14N2O/c1-12-7-8-14-11-15(9-10-16(14)18-12)19-17(20)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,3,4,8,9,6,2,15,5,7,10,13,11,12,14/E:(3,4)(5,6)/rA:20nCCCCCCCCCCNNCOCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s7;s12;d13;s13;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.12607 |
Area: | 457.089 |
Solvation: | -2.30115 |
Coulombic: | -27.9294 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 262.306 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.41 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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