ChemDB: Chemical Search
Download
Chemical ID: 3995509
Chemical ID:
3995509
Name [?]:
2-morpholinoquinoline-3-carbaldehyde
SMILES [?]:
c1ccc2c(c1)cc(c(n2)N3CCOCC3)C=O
InChi [?]:
InChI=1/C14H14N2O2/c17-10-12-9-11-3-1-2-4-13(11)15-14(12)16-5-7-18-8-6-16/h1-4,9-10H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,16,13,15,7,17,5,8,4,9,10,11,18,14/E:(5,6)(7,8)/rA:18nCCCCCCCCCNNCCOCCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;s12;s13;s14;s11s15;s8;d17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.96102 |
Area: | 415.658 |
Solvation: | -3.43044 |
Coulombic: | -28.7576 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 242.273 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.43 |
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 |
---|