Chemical ID: 4526325

CCOC(=O)c1ccc(cc1)NC(=O)c2cc(nc3c2cccc3)c4ccccc4
Chemical ID:
4526325
Name [?]:
ethyl 4-[(2-phenyl-4-quinolyl)carbonylamino]benzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)c2cc(nc3c2cccc3)c4ccccc4
InChi [?]:
InChI=1/C25H20N2O3/c1-2-30-25(29)18-12-14-19(15-13-18)26-24(28)21-16-23(17-8-4-3-5-9-17)27-22-11-7-6-10-20(21)22/h3-16H,2H2,1H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,28,27,29,22,23,26,30,21,24,7,11,8,10,16,25,6,9,20,15,19,17,13,4,12,18,14,5,3/E:(4,5)(8,9)(12,13)(14,15)/rA:30nCCOCOCCCCCCNCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;s17;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H20N2O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.7791
Area:638.135
Solvation:-3.17431
Coulombic:-49.4869
Bond Count [?]
All:33
Single:20
Double:13
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:396.438
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.48
LogP (Chemaxon):5.17

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Descriptor Annotations

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