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Chemical ID: 5817737
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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