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Chemical ID: 3844828
Chemical ID:
3844828
Name [?]:
6-methoxy-2-pyrrolidin-1-yl-quinoline-3-carbonitrile
SMILES [?]:
COc1ccc2c(c1)cc(c(n2)N3CCCC3)C#N
InChi [?]:
InChI=1/C15H15N3O/c1-19-13-4-5-14-11(9-13)8-12(10-16)15(17-14)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,4,5,14,17,9,8,18,7,10,3,6,11,19,12,13,2/E:(2,3)(6,7)/rA:19nCOCCCCCCCCCNNCCCCCN/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s11;s13;s14;s15;s13s16;s10;t18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15N3O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.9882 |
Area: | 438.772 |
Solvation: | -2.98109 |
Coulombic: | -22.9228 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 253.299 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.21 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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