Chemical ID: 7440479

CCOC(=O)c1cnc2c(c1Nc3ccccc3C(=O)O)cccc2OC
Chemical ID:
7440479
Name [?]:
2-[(3-ethoxycarbonyl-8-methoxy-4-quinolyl)amino]benzoic acid
SMILES [?]:
CCOC(=O)c1cnc2c(c1Nc3ccccc3C(=O)O)cccc2OC
InChi [?]:
InChI=1/C20H18N2O5/c1-3-27-20(25)14-11-21-18-13(8-6-10-16(18)26-2)17(14)22-15-9-5-4-7-12(15)19(23)24/h4-11H,3H2,1-2H3,(H,21,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,2,16,15,23,17,22,14,24,7,18,10,6,13,25,11,9,19,4,8,12,20,21,5,26,3/E:(23,24)/rA:27nCCOCOCCNCCCNCCCCCCCOOCCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d6s10;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;d10;s22;d23;d9s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O5
All Atoms:45
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.72621
Area:539.714
Solvation:-4.76663
Coulombic:-71.2851
Bond Count [?]
All:29
Single:19
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:366.367
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.08
LogP (Chemaxon):2.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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