Chemical ID: 6325867

Cc1c(c2ccccc2nc1c3ccc(cc3)C(C)C)C(=O)O
Chemical ID:
6325867
Name [?]:
2-(4-isopropylphenyl)-3-methyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1c(c2ccccc2nc1c3ccc(cc3)C(C)C)C(=O)O
InChi [?]:
InChI=1/C20H19NO2/c1-12(2)14-8-10-15(11-9-14)19-13(3)18(20(22)23)16-6-4-5-7-17(16)21-19/h4-12H,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:19,20,1,6,7,5,8,14,16,13,17,18,2,15,12,4,9,3,11,21,10,22,23/E:(1,2)(8,9)(10,11)(22,23)/rA:23nCCCCCCCCCNCCCCCCCCCCCOO/rB:s1;s2;d3;s4;d5;s6;d7;s4s8;d9;d2s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s18;s3;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.6402
Area:507.471
Solvation:-2.0466
Coulombic:-35.7704
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:305.37
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.4
LogP (Chemaxon):5.26

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Descriptor Annotations

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