Chemical ID: 4156753

CCOC(=O)c1cnc2c(c1Nc3ccc(cc3)C)cccc2OC
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

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Descriptor Annotations

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