Chemical ID: 4149383

CCOC(=O)c1c[nH]c2c(c1=O)cccc2OC
Chemical ID:
4149383
Name [?]:
ethyl 8-methoxy-4-oxo-1H-quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1c[nH]c2c(c1=O)cccc2OC
InChi [?]:
InChI=1/C13H13NO4/c1-3-18-13(16)9-7-14-11-8(12(9)15)5-4-6-10(11)17-2/h4-7H,3H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,18,2,14,13,15,7,10,6,16,9,11,4,8,12,5,17,3/rA:18nCCOCOCCNCCCOCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s6s10;d11;d10;s13;d14;d9s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13NO4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.82946
Area:426.849
Solvation:-3.84177
Coulombic:-46.0062
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:247.247
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.98
LogP (Chemaxon):1.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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