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Chemical ID: 4253851
Chemical ID:
4253851
Name [?]:
2-(4-methoxyphenyl)-8-methyl-quinoline-4-carboxylic acid
SMILES [?]:
Cc1cccc2c1nc(cc2C(=O)O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C18H15NO3/c1-11-4-3-5-14-15(18(20)21)10-16(19-17(11)14)12-6-8-13(22-2)9-7-12/h3-10H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,4,3,5,16,20,17,19,10,2,15,18,6,11,9,7,12,8,13,14,21/E:(6,7)(8,9)(20,21)/rA:22nCCCCCCCNCCCCOOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s11;d12;s12;s9;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.79451 |
Area: | 481.797 |
Solvation: | -3.25042 |
Coulombic: | -41.6139 |
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: | 3.91 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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