ChemDB: Chemical Search
Download
Chemical ID: 4738055
Chemical ID:
4738055
Name [?]:
7-chloro-2-methyl-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one
SMILES [?]:
Cc1nc2cc(ccc2c(=O)n1CC3CCCO3)Cl
InChi [?]:
InChI=1/C14H15ClN2O2/c1-9-16-13-7-10(15)4-5-12(13)14(18)17(9)8-11-3-2-6-19-11/h4-5,7,11H,2-3,6,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,7,8,17,5,13,2,6,14,9,4,10,19,3,12,11,18/rA:19cCCNCCCCCCCONCCCCCOCl/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;d10;s2s10;s12;s13;s14;s15;s16;s14s17;s6;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15ClN2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.36751 |
Area: | 445.213 |
Solvation: | -2.76281 |
Coulombic: | -30.0354 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 278.734 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.05 |
LogP (Chemaxon): | 1.92 |
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 |
---|