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Chemical ID: 4739184
Chemical ID:
4739184
Name [?]:
ethyl 6,8-difluoro-4-morpholino-quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2c(c1N3CCOCC3)cc(cc2F)F
InChi [?]:
InChI=1/C16H16F2N2O3/c1-2-23-16(21)12-9-19-14-11(7-10(17)8-13(14)18)15(12)20-3-5-22-6-4-20/h7-9H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,17,14,16,18,20,7,19,10,6,21,9,11,4,23,22,8,12,5,15,3/E:(3,4)(5,6)/rA:23nCCOCOCCNCCCNCCOCCCCCCFF/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d6s10;s11;s12;s13;s14;s15;s12s16;d10;s18;d19;d9s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16F2N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.30944 |
Area: | 472.372 |
Solvation: | -5.49986 |
Coulombic: | -44.4383 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 322.307 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.61 |
LogP (Chemaxon): | 2.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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