Chemical ID: 4949086

CCOC(=O)c1ccnc2c1cc(cc2)OC
Chemical ID:
4949086
Name [?]:
ethyl 6-methoxyquinoline-4-carboxylate
SMILES [?]:
CCOC(=O)c1ccnc2c1cc(cc2)OC
InChi [?]:
InChI=1/C13H13NO3/c1-3-17-13(15)10-6-7-14-12-5-4-9(16-2)8-11(10)12/h4-8H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,14,15,7,8,12,13,6,11,10,4,9,5,16,3/rA:17nCCOCOCCCNCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;d12;s13;s10d14;s13;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.10232
Area:410.809
Solvation:-3.16791
Coulombic:-31.7825
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:231.247
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.4
LogP (Chemaxon):1.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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