ChemDB: Chemical Search
Download
Chemical ID: 5624556
Chemical ID:
5624556
Name [?]:
2-(3-pyridyl)-3H-quinazolin-4-one
SMILES [?]:
c1ccc2c(c1)c(=O)[nH]c(n2)c3cccnc3
InChi [?]:
InChI=1/C13H9N3O/c17-13-10-5-1-2-6-11(10)15-12(16-13)9-4-3-7-14-8-9/h1-8H,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,6,3,15,17,12,5,4,10,7,16,11,9,8/rA:17nCCCCCCCONCNCCCCNC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4d10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9N3O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.58824 |
Area: | 392.477 |
Solvation: | -2.2237 |
Coulombic: | -32.1302 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 223.23 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.4 |
LogP (Chemaxon): | 1.62 |
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 |
---|