Chemical ID: 4146672

CCOC(=O)c1cnc2ccccc2c1Nc3ccc(cc3)C
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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