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Chemical ID: 3965856
Chemical ID:
3965856
Name [?]:
5-(2-hydroxy-3-tert-butylamino-propoxy)-3,4-dihydro-1H-quinolin-2-one
SMILES [?]:
CC(C)(C)NCC(COc1cccc2c1CCC(=O)N2)O
InChi [?]:
InChI=1/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,13,11,16,17,6,8,7,15,14,10,18,2,5,20,21,19,9/E:(1,2,3)/rA:21cCCCCNCCCOCCCCCCCCCONO/rB:s1;s2;s2;s2;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;d18;s14s18;s7;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.48074 |
Area: | 508.316 |
Solvation: | -5.22715 |
Coulombic: | -51.4094 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 292.373 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.11 |
LogP (Chemaxon): | 1.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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