Chemical ID: 5258873

CCn1cc(c(=O)c2c1cc(cc2)n3cccc3)C(=O)OCC
Chemical ID:
5258873
Name [?]:
ethyl 1-ethyl-4-oxo-7-pyrrol-1-yl-quinoline-3-carboxylate
SMILES [?]:
CCn1cc(c(=O)c2c1cc(cc2)n3cccc3)C(=O)OCC
InChi [?]:
InChI=1/C18H18N2O3/c1-3-19-12-15(18(22)23-4-2)17(21)14-8-7-13(11-16(14)19)20-9-5-6-10-20/h5-12H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,22,16,17,12,13,15,18,10,4,11,8,5,9,6,19,3,14,7,20,21/E:(5,6)(9,10)/rA:23nCCNCCCOCCCCCCNCCCCCOOCC/rB:s1;s2;s3;d4;s5;d6;s6;s3s8;d9;s10;d11;d8s12;s11;s14;d15;s16;s14d17;s5;d19;s19;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.41549
Area:513.501
Solvation:-3.42203
Coulombic:-38.5259
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:310.347
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.46
LogP (Chemaxon):3.13

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Descriptor Annotations

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