Chemical ID: 5149316

Cc1cccc2c1nc(cc2C(=O)O)c3ccc(cc3)C(C)(C)C
Chemical ID:
5149316
Name [?]:
8-methyl-2-(4-tert-butylphenyl)-quinoline-4-carboxylic acid
SMILES [?]:
Cc1cccc2c1nc(cc2C(=O)O)c3ccc(cc3)C(C)(C)C
InChi [?]:
InChI=1/C21H21NO2/c1-13-6-5-7-16-17(20(23)24)12-18(22-19(13)16)14-8-10-15(11-9-14)21(2,3)4/h5-12H,1-4H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,22,23,24,4,3,5,16,20,17,19,10,2,15,18,6,11,9,7,12,21,8,13,14/E:(2,3,4)(8,9)(10,11)(23,24)/rA:24nCCCCCCCNCCCCOOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;d12;s12;s9;s15;d16;s17;d18;d15s19;s18;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.2182
Area:525.952
Solvation:-1.93065
Coulombic:-36.0755
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:319.397
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.81
LogP (Chemaxon):5.83

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