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Chemical ID: 7287913
Chemical ID:
7287913
Name [?]:
N-(2-methylcyclohexyl)quinoline-2-carboxamide
SMILES [?]:
CC1CCCCC1NC(=O)c2ccc3ccccc3n2
InChi [?]:
InChI=1/C17H20N2O/c1-12-6-2-4-8-14(12)19-17(20)16-11-10-13-7-3-5-9-15(13)18-16/h3,5,7,9-12,14H,2,4,6,8H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,16,5,17,3,15,6,18,13,12,2,14,7,19,11,9,20,8,10/rA:20cCCCCCCCNCOCCCCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s9;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O |
All Atoms: | 40 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.1586 |
Area: | 462.379 |
Solvation: | -1.40084 |
Coulombic: | -31.1144 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 268.354 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.74 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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