Chemical ID: 4305080

CC1=CC(Nc2c1cc(cc2)OC(=O)CN3C(=O)CCC3=O)(C)C
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

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Descriptor Annotations

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