Chemical ID: 4154249

CCOC(=O)c1cnc2c(cc(cc2c1NCc3ccccc3)C)C
Chemical ID:
4154249
Name [?]:
ethyl 4-benzylamino-6,8-dimethyl-quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2c(cc(cc2c1NCc3ccccc3)C)C
InChi [?]:
InChI=1/C21H22N2O2/c1-4-25-21(24)18-13-23-19-15(3)10-14(2)11-17(19)20(18)22-12-16-8-6-5-7-9-16/h5-11,13H,4,12H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,25,2,21,20,22,19,23,11,13,17,7,12,10,18,14,6,9,15,4,16,8,5,3/E:(6,7)(8,9)/rA:25nCCOCOCCNCCCCCCCNCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s12;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.1905
Area:554.72
Solvation:-2.67752
Coulombic:-37.8652
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:334.412
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.93
LogP (Chemaxon):4.96

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Descriptor Annotations

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