Chemical ID: 6719739

CCOc1ccc2c(c1)c(c(cn2)C(=O)OCC)NC(C)C
Chemical ID:
6719739
Name [?]:
ethyl 6-ethoxy-4-isopropylamino-quinoline-3-carboxylate
SMILES [?]:
CCOc1ccc2c(c1)c(c(cn2)C(=O)OCC)NC(C)C
InChi [?]:
InChI=1/C17H22N2O3/c1-5-21-12-7-8-15-13(9-12)16(19-11(3)4)14(10-18-15)17(20)22-6-2/h7-11H,5-6H2,1-4H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,21,22,2,17,5,6,9,12,20,4,8,11,7,10,14,13,19,15,3,16/E:(3,4)/rA:22nCCOCCCCCCCCCNCOOCCNCCC/rB:s1;s2;s3;s4;d5;s6;s7;d4s8;d8;s10;d11;d7s12;s11;d14;s14;s16;s17;s10;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.20749
Area:503.659
Solvation:-3.38398
Coulombic:-42.9026
Bond Count [?]
All:23
Single:17
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:302.368
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.78
LogP (Chemaxon):3.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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