Chemical ID: 5147940

CCc1ccc2c(c1)c(cc(n2)c3ccc(cc3)C(C)(C)C)C(=O)O
Chemical ID:
5147940
Name [?]:
6-ethyl-2-(4-tert-butylphenyl)-quinoline-4-carboxylic acid
SMILES [?]:
CCc1ccc2c(c1)c(cc(n2)c3ccc(cc3)C(C)(C)C)C(=O)O
InChi [?]:
InChI=1/C22H23NO2/c1-5-14-6-11-19-17(12-14)18(21(24)25)13-20(23-19)15-7-9-16(10-8-15)22(2,3)4/h6-13H,5H2,1-4H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,20,21,22,2,4,14,18,15,17,5,8,10,3,13,16,7,9,6,11,23,19,12,24,25/E:(2,3,4)(7,8)(9,10)(24,25)/rA:25nCCCCCCCCCCCNCCCCCCCCCCCOO/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s19;s19;s9;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23NO2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.9263
Area:553.987
Solvation:-1.92341
Coulombic:-36.2762
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:333.424
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.49
LogP (Chemaxon):6.23

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Descriptor Annotations

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