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Chemical ID: 4947567
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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