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Chemical ID: 4146672
Chemical ID:
4146672
Name [?]:
ethyl 4-(p-tolylamino)quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2ccccc2c1Nc3ccc(cc3)C
InChi [?]:
InChI=1/C19H18N2O2/c1-3-23-19(22)16-12-20-17-7-5-4-6-15(17)18(16)21-14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,2,12,11,13,10,19,21,18,22,7,20,17,14,6,9,15,4,8,16,5,3/E:(8,9)(10,11)/rA:23nCCOCOCCNCCCCCCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4985 |
Area: | 509.588 |
Solvation: | -2.24121 |
Coulombic: | -37.5718 |
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: | 4.56 |
LogP (Chemaxon): | 4.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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