Chemical ID: 3966959

CCN(CCCC(C)Nc1ccnc2c1ccc(c2)Cl)CCO
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

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Descriptor Annotations

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