Chemical ID: 5160667

Cc1cccc(c1)c2nc3ccccc3c(n2)NCCN(C)C
Chemical ID:
5160667
Name [?]:
N',N'-dimethyl-N-[2-(m-tolyl)quinazolin-4-yl]-ethane-1,2-diamine
SMILES [?]:
Cc1cccc(c1)c2nc3ccccc3c(n2)NCCN(C)C
InChi [?]:
InChI=1/C19H22N4/c1-14-7-6-8-15(13-14)18-21-17-10-5-4-9-16(17)19(22-18)20-11-12-23(2)3/h4-10,13H,11-12H2,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,23,13,12,4,3,5,14,11,19,20,7,2,6,15,10,8,16,18,9,17,21/E:(2,3)/rA:23nCCCCCCCCNCCCCCCCNNCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s12;d13;s10s14;d15;d8s16;s16;s18;s19;s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.5037
Area:536.912
Solvation:-1.91907
Coulombic:-31.2064
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:306.405
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.78
LogP (Chemaxon):4.07

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Descriptor Annotations

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