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Chemical ID: 4689806

Chemical ID:

4689806

Name [?]:

ethyl 4-(4-fluorophenoxy)-8-methoxy-quinoline-3-carboxylate

SMILES [?]:

CCOC(=O)c1cnc2c(c1Oc3ccc(cc3)F)cccc2OC

InChi [?]:

InChI=1/C19H16FNO4/c1-3-24-19(22)15-11-21-17-14(5-4-6-16(17)23-2)18(15)25-13-9-7-12(20)8-10-13/h4-11H,3H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,25,2,21,20,22,15,17,14,18,7,16,13,10,6,23,9,11,4,19,8,5,24,3,12/E:(7,8)(9,10)/rA:25nCCOCOCCNCCCOCCCCCCFCCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d6s10;s11;s12;s13;d14;s15;d16;d13s17;s16;d10;s20;d21;d9s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₆FNO₄
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	7.74109
Area:	520.776
Solvation:	-5.2783
Coulombic:	-43.0322

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	341.333
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.04
LogP (Chemaxon):	3.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value