ChemDB: Chemical Search
Download
Chemical ID: 4556457
Chemical ID:
4556457
Name [?]:
7-methoxy-1,1,2,2,4-pentamethyl-quinoline
SMILES [?]:
CC1=CC([N+](c2c1ccc(c2)OC)(C)C)(C)C
InChi [?]:
InChI=1/C15H22NO/c1-11-10-15(2,3)16(4,5)14-9-12(17-6)7-8-13(11)14/h7-10H,1-6H3/q+1
InChi Info:
AuxInfo=1/0/N:1,16,17,14,15,13,9,8,11,3,2,10,7,6,4,5,12/E:(2,3)(4,5)/CRV:16+1/rA:17nCCCCN+CCCCCCOCCCCC/rB:s1;d2;s3;s4;s5;s2s6;d7;s8;d9;d6s10;s10;s12;s5;s5;s4;s4;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22NO+ |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -16.3113 |
Area: | 397.572 |
Solvation: | -26.2506 |
Coulombic: | 14.8307 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 232.341 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.55 |
LogP (Chemaxon): | -1.58 |
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 |
---|