Chemical ID: 4723825

CCOC(=O)c1cnc2c(cccc2c1N3CCCC3)C
Chemical ID:
4723825
Name [?]:
ethyl 8-methyl-4-pyrrolidin-1-yl-quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2c(cccc2c1N3CCCC3)C
InChi [?]:
InChI=1/C17H20N2O2/c1-3-21-17(20)14-11-18-15-12(2)7-6-8-13(15)16(14)19-9-4-5-10-19/h6-8,11H,3-5,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,18,19,12,11,13,17,20,7,10,14,6,9,15,4,8,16,5,3/E:(4,5)(9,10)/rA:21nCCOCOCCNCCCCCCCNCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s16;s17;s18;s16s19;s10;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.12909
Area:462.123
Solvation:-2.42398
Coulombic:-31.4914
Bond Count [?]
All:23
Single:17
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:284.353
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.42
LogP (Chemaxon):3.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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