Chemical ID: 6330557

CCCc1ccc(cc1)c2cc(c3cc(ccc3n2)C)C(=O)O
Chemical ID:
6330557
Name [?]:
6-methyl-2-(4-propylphenyl)-quinoline-4-carboxylic acid
SMILES [?]:
CCCc1ccc(cc1)c2cc(c3cc(ccc3n2)C)C(=O)O
InChi [?]:
InChI=1/C20H19NO2/c1-3-4-14-6-8-15(9-7-14)19-12-17(20(22)23)16-11-13(2)5-10-18(16)21-19/h5-12H,3-4H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,20,2,3,16,5,9,6,8,17,14,11,15,4,7,13,12,18,10,21,19,22,23/E:(6,7)(8,9)(22,23)/rA:23nCCCCCCCCCCCCCCCCCCNCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;s15;s12;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.0985
Area:520.919
Solvation:-1.92449
Coulombic:-35.7392
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:305.37
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.68
LogP (Chemaxon):5.46

Name Annotations

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Descriptor Annotations

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