Chemical ID: 7114457

CCOC(=O)c1cc2ccc(cc2nc1C)OC
Chemical ID:
7114457
Name [?]:
ethyl 7-methoxy-2-methyl-quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cc2ccc(cc2nc1C)OC
InChi [?]:
InChI=1/C14H15NO3/c1-4-18-14(16)12-7-10-5-6-11(17-3)8-13(10)15-9(12)2/h5-8H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,18,2,9,10,7,12,15,8,11,6,13,4,14,5,17,3/rA:18nCCOCOCCCCCCCCNCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;s10;d11;s8s12;d13;d6s14;s15;s11;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15NO3
All Atoms:33
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.85875
Area:433.589
Solvation:-2.98097
Coulombic:-32.0955
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:245.274
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.71
LogP (Chemaxon):1.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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