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Chemical ID: 4692831
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
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Experimental Annotations
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Descriptor Annotations
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