ChemDB: Chemical Search
Download
Chemical ID: 4750107
Chemical ID:
4750107
Name [?]:
N-cyclohexyl-6,7-dimethoxy-quinazolin-4-amine
SMILES [?]:
COc1cc2c(cc1OC)ncnc2NC3CCCCC3
InChi [?]:
InChI=1/C16H21N3O2/c1-20-14-8-12-13(9-15(14)21-2)17-10-18-16(12)19-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,10,19,18,20,17,21,4,7,12,16,5,6,3,8,14,11,13,15,2,9/E:(4,5)(6,7)/rA:21nCOCCCCCCOCNCNCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;s5d13;s14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H21N3O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.36282 |
Area: | 480.101 |
Solvation: | -4.6397 |
Coulombic: | -36.157 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 287.357 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.85 |
LogP (Chemaxon): | 2.67 |
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 |
---|