ChemDB: Chemical Search
Download
Chemical ID: 7434662
Chemical ID:
7434662
Name [?]:
1-isobutyl-6-methyl-2-oxo-quinoline-3-carbaldehyde
SMILES [?]:
Cc1ccc2c(c1)cc(c(=O)n2CC(C)C)C=O
InChi [?]:
InChI=1/C15H17NO2/c1-10(2)8-16-14-5-4-11(3)6-12(14)7-13(9-17)15(16)18/h4-7,9-10H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:15,16,1,3,4,7,8,13,17,14,2,6,9,5,10,12,18,11/E:(1,2)/rA:18nCCCCCCCCCCONCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s5s10;s12;s13;s14;s14;s9;d17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO2 |
All Atoms: | 35 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.58503 |
Area: | 416.967 |
Solvation: | -3.83914 |
Coulombic: | -23.2721 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 243.301 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.51 |
LogP (Chemaxon): | 3.54 |
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 |
---|