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Chemical ID: 4305080
Chemical ID:
4305080
Name [?]:
(2,2,4-trimethyl-1H-quinolin-6-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate
SMILES [?]:
CC1=CC(Nc2c1cc(cc2)OC(=O)CN3C(=O)CCC3=O)(C)C
InChi [?]:
InChI=1/C18H20N2O4/c1-11-9-18(2,3)19-14-5-4-12(8-13(11)14)24-17(23)10-20-15(21)6-7-16(20)22/h4-5,8-9,19H,6-7,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,24,10,11,19,20,8,3,15,2,9,7,6,17,21,13,4,5,16,18,22,14,12/E:(2,3)(6,7)(15,16)(21,22)/rA:24nCCCCNCCCCCCOCOCNCOCCCOCC/rB:s1;d2;s3;s4;s5;s2s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;d17;s17;s19;s16s20;d21;s4;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.01385 |
Area: | 529.877 |
Solvation: | -4.23307 |
Coulombic: | -52.1057 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 328.362 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.37 |
LogP (Chemaxon): | 0.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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