Chemical ID: 5145942

Cc1ccc(cc1C)c2cc(c3cc(cc(c3n2)C)C)C(=O)O
Chemical ID:
5145942
Name [?]:
2-(3,4-dimethylphenyl)-6,8-dimethyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1ccc(cc1C)c2cc(c3cc(cc(c3n2)C)C)C(=O)O
InChi [?]:
InChI=1/C20H19NO2/c1-11-7-14(4)19-16(8-11)17(20(22)23)10-18(21-19)15-6-5-12(2)13(3)9-15/h5-10H,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:20,1,8,19,3,4,15,13,6,10,14,2,7,16,5,12,11,9,17,21,18,22,23/E:(22,23)/rA:23nCCCCCCCCCCCCCCCCCNCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s16;s14;s11;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.7685
Area:508.237
Solvation:-1.93744
Coulombic:-34.7228
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:305.37
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.31
LogP (Chemaxon):5.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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