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Chemical ID: 4723825
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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