Chemical ID: 5817737

CCOC(=O)c1ccc(cc1)Nc2cc(nc3c2cccc3)C
Chemical ID:
5817737
Name [?]:
ethyl 4-[(2-methyl-4-quinolyl)amino]benzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)Nc2cc(nc3c2cccc3)C
InChi [?]:
InChI=1/C19H18N2O2/c1-3-23-19(22)14-8-10-15(11-9-14)21-18-12-13(2)20-17-7-5-4-6-16(17)18/h4-12H,3H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,2,20,21,19,22,7,11,8,10,14,15,6,9,18,17,13,4,16,12,5,3/E:(8,9)(10,11)/rA:23nCCOCOCCCCCCNCCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s15;d16;d13s17;s18;d19;s20;s17d21;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.6999
Area:525.067
Solvation:-2.42675
Coulombic:-37.4967
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:306.358
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.01
LogP (Chemaxon):3.45

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Descriptor Annotations

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