ChemDB: Chemical Search
Download
Chemical ID: 6621730
Chemical ID:
6621730
Name [?]:
N-(1-adamantyl)-1-hexyl-4-hydroxy-2-oxo-quinoline-3-carboxamide
SMILES [?]:
CCCCCCn1c2ccccc2c(c(c1=O)C(=O)NC34CC5CC(C3)CC(C5)C4)O
InChi [?]:
InChI=1/C26H34N2O3/c1-2-3-4-7-10-28-21-9-6-5-8-20(21)23(29)22(25(28)31)24(30)27-26-14-17-11-18(15-26)13-19(12-17)16-26/h5-6,8-9,17-19,29H,2-4,7,10-16H2,1H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,11,10,5,12,9,6,24,27,29,26,22,30,25,23,28,13,8,15,14,18,16,21,20,7,31,19,17/E:(11,12,13)(14,15,16)(17,18,19)/rA:31nCCCCCCNCCCCCCCCCOCONCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s7s15;d16;s15;d18;s18;s20;s21;s22;s23;s24;s21s25;s25;s27;s23s28;s21s28;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H34N2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3002 |
Area: | 640.361 |
Solvation: | -2.7088 |
Coulombic: | -56.5652 |
Bond Count [?]
All: | 35 |
Single: | 29 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 422.56 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 6.42 |
LogP (Chemaxon): | 5.16 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|