ChemDB: Chemical Search
Download
Chemical ID: 4567202
Chemical ID:
4567202
Name [?]:
N'-[2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-quinazolin-4-yl]-N,N-diethyl-ethane-1,2-diamine
SMILES [?]:
CCN(CC)CCNc1c2cc(c(cc2nc(n1)c3ccc(c(c3)OC)OC)OCC)OC
InChi [?]:
InChI=1/C25H34N4O4/c1-7-29(8-2)13-12-26-25-18-15-22(32-6)23(33-9-3)16-19(18)27-24(28-25)17-10-11-20(30-4)21(14-17)31-5/h10-11,14-16H,7-9,12-13H2,1-6H3,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,5,31,28,26,33,2,4,30,20,21,7,6,24,11,14,19,10,15,22,23,12,13,17,9,8,16,18,3,27,25,32,29/E:(1,2)(7,8)/rA:33nCCNCCCCNCCCCCCCNCNCCCCCCOCOCOCCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;d9s17;s17;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;s13;s29;s30;s12;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H34N4O4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.96482 |
Area: | 736.043 |
Solvation: | -8.43626 |
Coulombic: | -56.0365 |
Bond Count [?]
All: | 35 |
Single: | 27 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 454.562 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.73 |
LogP (Chemaxon): | 3.62 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|