Chemical ID: 7362081

CC(c1ccccc1Cl)Nc2ccnc3c2ccc(c3)Cl
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

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Descriptor Annotations

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