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Chemical ID: 5160667
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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