Chemical ID: 4665269

CCn1cc(c(=O)c2c1cccc2)C(=O)OCC
Chemical ID:
4665269
Name [?]:
ethyl 1-ethyl-4-oxo-quinoline-3-carboxylate
SMILES [?]:
CCn1cc(c(=O)c2c1cccc2)C(=O)OCC
InChi [?]:
InChI=1/C14H15NO3/c1-3-15-9-11(14(17)18-4-2)13(16)10-7-5-6-8-12(10)15/h5-9H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,17,12,11,13,10,4,8,5,9,6,14,3,7,15,16/rA:18nCCNCCCOCCCCCCCOOCC/rB:s1;s2;s3;d4;s5;d6;s6;s3s8;d9;s10;d11;d8s12;s5;d14;s14;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.05156
Area:430.635
Solvation:-2.71432
Coulombic:-34.3392
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:245.274
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.79
LogP (Chemaxon):2.47

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Descriptor Annotations

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