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Chemical ID: 4156753
Chemical ID:
4156753
Name [?]:
ethyl 8-methoxy-4-(p-tolylamino)quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2c(c1Nc3ccc(cc3)C)cccc2OC
InChi [?]:
InChI=1/C20H20N2O3/c1-4-25-20(23)16-12-21-19-15(6-5-7-17(19)24-3)18(16)22-14-10-8-13(2)9-11-14/h5-12H,4H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,19,25,2,21,20,22,15,17,14,18,7,16,13,10,6,23,11,9,4,8,12,5,24,3/E:(8,9)(10,11)/rA:25nCCOCOCCNCCCNCCCCCCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d6s10;s11;s12;s13;d14;s15;d16;d13s17;s16;d10;s20;d21;d9s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66237 |
Area: | 546.301 |
Solvation: | -3.99516 |
Coulombic: | -43.9614 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 336.384 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.48 |
LogP (Chemaxon): | 4.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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