Chemical ID: 7122761

Cc1ccc2c(c1)c(cc(n2)c3ccc(cc3)C(C)(C)C)C(=O)[O-]
Chemical ID:
7122761
Name [?]:
6-methyl-2-(4-tert-butylphenyl)-quinoline-4-carboxylate
SMILES [?]:
Cc1ccc2c(c1)c(cc(n2)c3ccc(cc3)C(C)(C)C)C(=O)[O-]
InChi [?]:
InChI=1/C21H21NO2/c1-13-5-10-18-16(11-13)17(20(23)24)12-19(22-18)14-6-8-15(9-7-14)21(2,3)4/h5-12H,1-4H3,(H,23,24)/p-1
InChi Info:
AuxInfo=1/1/N:1,19,20,21,3,13,17,14,16,4,7,9,2,12,15,6,8,5,10,22,18,11,23,24/E:(2,3,4)(6,7)(8,9)(23,24)/rA:24nCCCCCCCCCCNCCCCCCCCCCCOO-/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;d13;s14;d15;d12s16;s15;s18;s18;s18;s8;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20NO2-
All Atoms:44
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-27.9834
Area:526.951
Solvation:-41.1572
Coulombic:-10.6545
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:318.389
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.54
LogP (Chemaxon):5.83

Name Annotations

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Descriptor Annotations

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