Chemical ID: 6621730

CCCCCCn1c2ccccc2c(c(c1=O)C(=O)NC34CC5CC(C3)CC(C5)C4)O
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue