Chemical ID: 6653428

CCOC(=O)c1cc2ccccc2nc1C=Cc3ccccc3
Chemical ID:
6653428
Name [?]:
ethyl 2-styrylquinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cc2ccccc2nc1C=Cc3ccccc3
InChi [?]:
InChI=1/C20H17NO2/c1-2-23-20(22)17-14-16-10-6-7-11-18(16)21-19(17)13-12-15-8-4-3-5-9-15/h3-14H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,21,20,22,10,11,19,23,9,12,17,16,7,18,8,6,13,15,4,14,5,3/E:(4,5)(8,9)/rA:23nCCOCOCCCCCCCCNCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;d11;s8s12;d13;d6s14;s15;w16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.3547
Area:490.448
Solvation:-1.90654
Coulombic:-28.5593
Bond Count [?]
All:25
Single:15
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:303.355
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.78
LogP (Chemaxon):4.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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