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Chemical ID: 4507395
Chemical ID:
4507395
Name [?]:
1-ethyl-6-fluoro-7-morpholino-4-oxo-quinoline-3-carboxylic acid
SMILES [?]:
CCn1cc(c(=O)c2c1cc(c(c2)F)N3CCOCC3)C(=O)O
InChi [?]:
InChI=1/C16H17FN2O4/c1-2-18-9-11(16(21)22)15(20)10-7-12(17)14(8-13(10)18)19-3-5-23-6-4-19/h7-9H,2-6H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,16,20,17,19,13,10,4,8,5,12,9,11,6,21,14,3,15,7,22,23,18/E:(3,4)(5,6)(21,22)/rA:23nCCNCCCOCCCCCCFNCCOCCCOO/rB:s1;s2;s3;d4;s5;d6;s6;s3s8;d9;s10;d11;d8s12;s12;s11;s15;s16;s17;s18;s15s19;s5;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17FN2O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.20795 |
Area: | 483.535 |
Solvation: | -5.88043 |
Coulombic: | -57.7687 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 320.316 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.02 |
LogP (Chemaxon): | 2.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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