Chemical ID: 4955608

CC[N+](C)(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl
Chemical ID:
4955608
Name [?]:
[5-[(7-chloro-4-quinolyl)amino]-2-hydroxy-phenyl]methyl-diethyl-methyl-ammonium
SMILES [?]:
CC[N+](C)(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl
InChi [?]:
InChI=1/C21H24ClN3O/c1-4-25(3,5-2)14-15-12-17(7-9-21(15)26)24-19-10-11-23-20-13-16(22)6-8-18(19)20/h6-13H,4-5,14H2,1-3H3,(H-,23,24,26)/p+1
InChi Info:
AuxInfo=1/2/N:1,6,4,2,5,23,11,22,12,17,18,9,25,7,8,24,10,21,16,20,13,26,19,15,3,14/E:(1,2)(4,5)/CRV:25+1,26-1/rA:26nCCN+CCCCCCCCCCONCCCNCCCCCCCl/rB:s1;s2;s3;s3;s5;s3;s7;s8;d9;s10;d11;d8s12;s13;s10;s15;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25ClN3O+
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-14.1479
Area:567.376
Solvation:-28.3323
Coulombic:-9.82875
Bond Count [?]
All:28
Single:20
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:370.896
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.45
LogP (Chemaxon):-0.38

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