ChemDB: Chemical Search
Download
Chemical ID: 5872396
Chemical ID:
5872396
Name [?]:
3-ethyl-2-(1-isobutylaminopropyl)quinazolin-4-one
SMILES [?]:
CCC(c1nc2ccccc2c(=O)n1CC)NCC(C)C
InChi [?]:
InChI=1/C17H25N3O/c1-5-14(18-11-12(3)4)16-19-15-10-8-7-9-13(15)17(21)20(16)6-2/h7-10,12,14,18H,5-6,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,20,21,2,15,9,8,10,7,18,19,11,3,6,4,12,17,5,14,13/E:(3,4)/rA:21cCCCCNCCCCCCCONCCNCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s11;d12;s4s12;s14;s15;s3;s17;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25N3O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4643 |
Area: | 499.591 |
Solvation: | -2.02542 |
Coulombic: | -33.2175 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 287.4 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.75 |
LogP (Chemaxon): | 3.24 |
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 |
---|