Chemical ID: 7122983

Cc1cccc2c1nc(cc2C(=O)[O-])c3ccc(cc3)C(C)C
Chemical ID:
7122983
Name [?]:
2-(4-isopropylphenyl)-8-methyl-quinoline-4-carboxylate
SMILES [?]:
Cc1cccc2c1nc(cc2C(=O)[O-])c3ccc(cc3)C(C)C
InChi [?]:
InChI=1/C20H19NO2/c1-12(2)14-7-9-15(10-8-14)18-11-17(20(22)23)16-6-4-5-13(3)19(16)21-18/h4-12H,1-3H3,(H,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:22,23,1,4,3,5,17,19,16,20,10,21,2,18,15,6,11,9,7,12,8,13,14/E:(1,2)(7,8)(9,10)(22,23)/rA:23nCCCCCCCNCCCCOO-CCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;d12;s12;s9;s15;d16;s17;d18;d15s19;s18;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18NO2-
All Atoms:41
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-28.4132
Area:509.22
Solvation:-41.1437
Coulombic:-10.5857
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:304.362
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.92
LogP (Chemaxon):5.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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