Chemical ID: 5573868

CCOC(=O)c1c(c([nH]c1C)C(=O)COC(=O)c2cc(nc3c2cccc3)C)C
Chemical ID:
5573868
Name [?]:
[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 2-methylquinoline-4-carboxylate
SMILES [?]:
CCOC(=O)c1c(c([nH]c1C)C(=O)COC(=O)c2cc(nc3c2cccc3)C)C
InChi [?]:
InChI=1/C22H22N2O5/c1-5-28-22(27)19-13(3)20(24-14(19)4)18(25)11-29-21(26)16-10-12(2)23-17-9-7-6-8-15(16)17/h6-10,24H,5,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,29,11,2,25,26,24,27,19,14,20,7,10,23,18,22,12,6,8,16,4,21,9,13,17,5,3,15/rA:29nCCOCOCCCNCCCOCOCOCCCNCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s8;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;s20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22N2O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.8748
Area:639.282
Solvation:-4.10729
Coulombic:-63.644
Bond Count [?]
All:31
Single:21
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:394.421
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.17
LogP (Chemaxon):2.06

Name Annotations

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Descriptor Annotations

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