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Chemical ID: 7092077
Chemical ID:
7092077
Name [?]:
6-methyl-2-pyrrolidin-1-yl-quinoline-3-carbaldehyde
SMILES [?]:
Cc1ccc2c(c1)cc(c(n2)N3CCCC3)C=O
InChi [?]:
InChI=1/C15H16N2O/c1-11-4-5-14-12(8-11)9-13(10-18)15(16-14)17-6-2-3-7-17/h4-5,8-10H,2-3,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,3,4,13,16,7,8,17,2,6,9,5,10,11,12,18/E:(2,3)(6,7)/rA:18nCCCCCCCCCCNNCCCCCO/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;s13;s14;s12s15;s9;d17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O |
All Atoms: | 34 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.6264 |
Area: | 423.317 |
Solvation: | -1.95654 |
Coulombic: | -20.7462 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 240.3 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.7 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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