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Chemical ID: 3966959
Chemical ID:
3966959
Name [?]:
2-[4-[(7-chloro-4-quinolyl)amino]pentyl-ethyl-amino]ethanol
SMILES [?]:
CCN(CCCC(C)Nc1ccnc2c1ccc(c2)Cl)CCO
InChi [?]:
InChI=1/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,2,5,6,17,16,11,12,4,21,22,19,7,18,15,10,14,20,13,9,3,23/rA:23cCCNCCCCCNCCCNCCCCCCClCCO/rB:s1;s2;s3;s4;s5;s6;s7;s7;s9;s10;d11;s12;d13;d10s14;s15;d16;s17;s14d18;s18;s3;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H26ClN3O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.7169 |
Area: | 580.132 |
Solvation: | -3.78635 |
Coulombic: | -38.492 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 335.871 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.14 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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