Chemical ID: 4218535

CC1=CC(Nc2c1cc(cc2)OC(=O)c3cccc(c3)OC)(C)C
Chemical ID:
4218535
Name [?]:
(2,2,4-trimethyl-1H-quinolin-6-yl) 3-methoxybenzoate
SMILES [?]:
CC1=CC(Nc2c1cc(cc2)OC(=O)c3cccc(c3)OC)(C)C
InChi [?]:
InChI=1/C20H21NO3/c1-13-12-20(2,3)21-18-9-8-16(11-17(13)18)24-19(22)14-6-5-7-15(10-14)23-4/h5-12,21H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,24,22,17,16,18,10,11,20,8,3,2,15,19,9,7,6,13,4,5,14,21,12/E:(2,3)/rA:24nCCCCNCCCCCCOCOCCCCCCOCCC/rB:s1;d2;s3;s4;s5;s2s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;s4;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21NO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.3132
Area:538.014
Solvation:-3.13713
Coulombic:-39.6207
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:323.386
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.37
LogP (Chemaxon):3.5

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