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Chemical ID: 6713587
Chemical ID:
6713587
Name [?]:
2,7,8-trimethyl-N-(p-tolyl)quinolin-4-amine
SMILES [?]:
Cc1ccc(cc1)Nc2cc(nc3c2ccc(c3C)C)C
InChi [?]:
InChI=1/C19H20N2/c1-12-5-8-16(9-6-12)21-18-11-14(3)20-19-15(4)13(2)7-10-17(18)19/h5-11H,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,3,7,16,4,6,15,10,2,17,11,18,5,14,9,13,12,8/E:(5,6)(8,9)/rA:21nCCCCCCCNCCCNCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s14;d15;s16;s13d17;s18;s17;s11;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4046 |
Area: | 478.536 |
Solvation: | -1.55884 |
Coulombic: | -17.8508 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 276.376 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.75 |
LogP (Chemaxon): | 4.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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