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Chemical ID: 7247650
Chemical ID:
7247650
Name [?]:
N-(cyclohexylmethyl)quinoline-2-carboxamide
SMILES [?]:
c1ccc2c(c1)ccc(n2)C(=O)NCC3CCCCC3
InChi [?]:
InChI=1/C17H20N2O/c20-17(18-12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)19-16/h4-5,8-11,13H,1-3,6-7,12H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:18,17,19,1,2,16,20,6,3,7,8,14,15,5,4,9,11,13,10,12/E:(2,3)(6,7)/rA:20nCCCCCCCCCNCONCCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;d11;s11;s13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O |
All Atoms: | 40 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.428 |
Area: | 476.221 |
Solvation: | -1.47757 |
Coulombic: | -31.2419 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 268.354 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.06 |
LogP (Chemaxon): | 3.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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