Chemical ID: 4692831

COc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)Cl
Chemical ID:
4692831
Name [?]:
N-(3,4-dichlorophenyl)-6,7-dimethoxy-quinazolin-4-amine
SMILES [?]:
COc1cc2c(cc1OC)ncnc2Nc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C16H13Cl2N3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-11(17)12(18)5-9/h3-8H,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,10,17,18,21,4,7,12,16,5,19,20,6,3,8,14,23,22,11,13,15,2,9/rA:23nCOCCCCCCOCNCNCNCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;s5d13;s14;s15;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13Cl2N3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.18938
Area:527.926
Solvation:-5.00876
Coulombic:-35.9597
Bond Count [?]
All:25
Single:17
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:350.199
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.83
LogP (Chemaxon):3.8

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue