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Chemical ID: 6330753
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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