Chemical ID: 7147616

CCc1ccc(cc1)c2cc(c3cccc(c3n2)C)C(=O)[O-]
Chemical ID:
7147616
Name [?]:
2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxylate
SMILES [?]:
CCc1ccc(cc1)c2cc(c3cccc(c3n2)C)C(=O)[O-]
InChi [?]:
InChI=1/C19H17NO2/c1-3-13-7-9-14(10-8-13)17-11-16(19(21)22)15-6-4-5-12(2)18(15)20-17/h4-11H,3H2,1-2H3,(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,19,2,14,15,13,4,8,5,7,10,16,3,6,12,11,9,17,20,18,21,22/E:(7,8)(9,10)(21,22)/rA:22nCCCCCCCCCCCCCCCCCNCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s16;s11;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16NO2-
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-28.8528
Area:487.876
Solvation:-41.0497
Coulombic:-10.3007
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:290.336
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.41
LogP (Chemaxon):5.07

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