ChemDB: Chemical Search
Download
Chemical ID: 4155717
Chemical ID:
4155717
Name [?]:
2-(4-methoxyphenyl)-N-propyl-quinazolin-4-amine
SMILES [?]:
CCCNc1c2ccccc2nc(n1)c3ccc(cc3)OC
InChi [?]:
InChI=1/C18H19N3O/c1-3-12-19-18-15-6-4-5-7-16(15)20-17(21-18)13-8-10-14(22-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,8,9,7,10,16,20,17,19,3,15,18,6,11,13,5,4,12,14,21/E:(8,9)(10,11)/rA:22nCCCNCCCCCCCNCNCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;d12;d5s13;s13;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N3O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1514 |
Area: | 512.8 |
Solvation: | -2.66857 |
Coulombic: | -33.1835 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 293.363 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.18 |
LogP (Chemaxon): | 4.19 |
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 |
---|