Chemical ID: 6941109

c1ccc2c(c1)ccc(n2)C(=O)Nc3ccc4c(c3)OCCO4
Chemical ID:
6941109
Name [?]:
N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)quinoline-2-carboxamide
SMILES [?]:
c1ccc2c(c1)ccc(n2)C(=O)Nc3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C18H14N2O3/c21-18(15-7-5-12-3-1-2-4-14(12)20-15)19-13-6-8-16-17(11-13)23-10-9-22-16/h1-8,11H,9-10H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,15,8,16,22,21,19,5,14,4,9,17,18,11,13,10,12,23,20/rA:23nCCCCCCCCCNCONCCCCCCOCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s21;s17s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N2O3
All Atoms:37
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.99258
Area:491.399
Solvation:-3.29239
Coulombic:-45.4588
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:306.315
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.8
LogP (Chemaxon):2.91

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue