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Chemical ID: 4730567
Chemical ID:
4730567
Name [?]:
2-(4-methoxyphenyl)-7-methyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1ccc2c(cc(nc2c1)c3ccc(cc3)OC)C(=O)O
InChi [?]:
InChI=1/C18H15NO3/c1-11-3-8-14-15(18(20)21)10-16(19-17(14)9-11)12-4-6-13(22-2)7-5-12/h3-10H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,19,3,13,17,14,16,4,11,7,2,12,15,5,6,8,10,20,9,21,22,18/E:(4,5)(6,7)(20,21)/rA:22nCCCCCCCCNCCCCCCCCOCCOO/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s8;s12;d13;s14;d15;d12s16;s15;s18;s6;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.89158 |
Area: | 484.923 |
Solvation: | -3.2315 |
Coulombic: | -41.4892 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 293.317 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.12 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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