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Chemical ID: 5057811
Chemical ID:
5057811
Name [?]:
8-(3-dimethylamino-1-methyl-propyl)aminoquinolin-6-ol
SMILES [?]:
CC(CCN(C)C)Nc1cc(cc2c1nccc2)O
InChi [?]:
InChI=1/C15H21N3O/c1-11(6-8-18(2)3)17-14-10-13(19)9-12-5-4-7-16-15(12)14/h4-5,7,9-11,17,19H,6,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,6,7,17,18,3,16,4,12,10,2,13,11,9,14,15,8,5,19/E:(2,3)/rA:19cCCCCNCCNCCCCCCNCCCO/rB:s1;s2;s3;s4;s5;s5;s2;s8;s9;d10;s11;d12;d9s13;s14;d15;s16;s13d17;s11;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21N3O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.92001 |
Area: | 469.029 |
Solvation: | -2.80571 |
Coulombic: | -37.9302 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 259.347 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.04 |
LogP (Chemaxon): | 0.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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