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Chemical ID: 5247625
Chemical ID:
5247625
Name [?]:
2-methyl-N-(3-quinolyl)butanamide
SMILES [?]:
CCC(C)C(=O)Nc1cc2ccccc2nc1
InChi [?]:
InChI=1/C14H16N2O/c1-3-10(2)14(17)16-12-8-11-6-4-5-7-13(11)15-9-12/h4-10H,3H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,4,2,12,13,11,14,9,17,3,10,8,15,5,16,7,6/rA:17cCCCCCONCCCCCCCCNC/rB:s1;s2;s3;s3;d5;s5;s7;s8;d9;s10;d11;s12;d13;s10s14;d15;d8s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.25289 |
Area: | 417.649 |
Solvation: | -2.18833 |
Coulombic: | -26.5952 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 228.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.49 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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