Chemical ID: 4947567

Cc1cc(c2ccccc2[n+]1CCCCCCCCCC[n+]3c(cc(c4c3cccc4)N(C)C)C)N(C)C
Chemical ID:
4947567
Name [?]:
1-[10-(4-dimethylamino-2-methyl-1-quinolyl)decyl]-N,N,2-trimethyl-quinolin-4-amine
SMILES [?]:
Cc1cc(c2ccccc2[n+]1CCCCCCCCCC[n+]3c(cc(c4c3cccc4)N(C)C)C)N(C)C
InChi [?]:
InChI=1/C34H48N4/c1-27-25-33(35(3)4)29-19-13-15-21-31(29)37(27)23-17-11-9-7-8-10-12-18-24-38-28(2)26-34(36(5)6)30-20-14-16-22-32(30)38/h13-16,19-22,25-26H,7-12,17-18,23-24H2,1-6H3/q+2
InChi Info:
AuxInfo=1/0/N:1,35,37,38,33,34,16,17,15,18,14,19,7,30,8,29,13,20,6,31,9,28,12,21,3,24,2,23,5,26,10,27,4,25,36,32,11,22/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)/CRV:37+1,38+1/rA:38nCCCCCCCCCCN+CCCCCCCCCCN+CCCCCCCCCNCCCNCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;d23;s24;d25;d22s26;s27;d28;s29;s26d30;s25;s32;s32;s23;s4;s36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C34H48N4+2
All Atoms:38
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:-41.238
Area:842.665
Solvation:-62.3046
Coulombic:31.2834
Bond Count [?]
All:41
Single:31
Double:10
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:512.772
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:8.4
LogP (Chemaxon):-0.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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