Chemical ID: 6330753

CCCOc1cccc(c1)c2cc(c3cc(ccc3n2)C)C(=O)O
Chemical ID:
6330753
Name [?]:
6-methyl-2-(3-propoxyphenyl)-quinoline-4-carboxylic acid
SMILES [?]:
CCCOc1cccc(c1)c2cc(c3cc(ccc3n2)C)C(=O)O
InChi [?]:
InChI=1/C20H19NO3/c1-3-9-24-15-6-4-5-14(11-15)19-12-17(20(22)23)16-10-13(2)7-8-18(16)21-19/h4-8,10-12H,3,9H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,21,2,7,8,6,17,18,3,15,10,12,16,9,5,14,13,19,11,22,20,23,24,4/E:(22,23)/rA:24nCCCOCCCCCCCCCCCCCCCNCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;s16;s13;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.3249
Area:542.307
Solvation:-3.2328
Coulombic:-42.1225
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:321.37
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.9
LogP (Chemaxon):4.76

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Descriptor Annotations

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