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Chemical ID: 7362081
Chemical ID:
7362081
Name [?]:
7-chloro-N-[1-(2-chlorophenyl)ethyl]quinolin-4-amine
SMILES [?]:
CC(c1ccccc1Cl)Nc2ccnc3c2ccc(c3)Cl
InChi [?]:
InChI=1/C17H14Cl2N2/c1-11(13-4-2-3-5-15(13)19)21-16-8-9-20-17-10-12(18)6-7-14(16)17/h2-11H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,7,18,17,12,13,20,2,19,3,16,8,11,15,21,9,14,10/rA:21cCCCCCCCCClNCCCNCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2;s10;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14Cl2N2 |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9434 |
Area: | 501.632 |
Solvation: | -1.59741 |
Coulombic: | -19.9705 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 317.212 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.25 |
LogP (Chemaxon): | 4.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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