Chemical ID: 6546193

COc1ccc2c(c1)C(=O)N(C(=O)C2)Cc3ccco3
Chemical ID:
6546193
Name [?]:
2-(2-furylmethyl)-7-methoxy-4H-isoquinoline-1,3-dione
SMILES [?]:
COc1ccc2c(c1)C(=O)N(C(=O)C2)Cc3ccco3
InChi [?]:
InChI=1/C15H13NO4/c1-19-11-5-4-10-7-14(17)16(15(18)13(10)8-11)9-12-3-2-6-20-12/h2-6,8H,7,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,5,4,19,14,8,15,6,3,16,7,12,9,11,13,10,2,20/rA:20nCOCCCCCCCONCOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;d12;s6s12;s11;s15;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13NO4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:5.93697
Area:440.283
Solvation:-5.07011
Coulombic:-38.0877
Bond Count [?]
All:22
Single:15
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:271.268
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.27
LogP (Chemaxon):1.21

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Descriptor Annotations

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