methyl 6-methoxy-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxylate

C17H15NO4 — CID 134206195

IUPACmethyl 6-methoxy-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)c1ccc(OC)nc1CC2
InChIInChI=1S/C17H15NO4/c1-21-15-8-6-12-14(18-15)7-5-10-3-4-11(17(20)22-2)9-13(10)16(12)19/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyOJBLERDOWMNAOJ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.21
Rot. Bonds2

About methyl 6-methoxy-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxylate

methyl 6-methoxy-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxylate (PubChem CID 134206195) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 6-methoxy-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxylate
PubChem CID134206195
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Namemethyl 6-methoxy-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)c1ccc(OC)nc1CC2
InChIInChI=1S/C17H15NO4/c1-21-15-8-6-12-14(18-15)7-5-10-3-4-11(17(20)22-2)9-13(10)16(12)19/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyOJBLERDOWMNAOJ-UHFFFAOYSA-N
XLogP2.21
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-methoxy-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxylate with MolForge

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Related Compounds

methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate
CID 18998711
methyl 9-oxo-6-trimethylstannylfluorene-2-carboxylate
CID 15661384
methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate
CID 118619357
methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate
CID 58406815
methyl 8-hydroxy-7-isocyano-5,6-dihydronaphthalene-2-carboxylate
CID 140747764
methyl 3-methoxyisoquinoline-7-carboxylate
CID 126676671
methyl 3-methoxy-5,5-dimethyl-6H-[1]benzoxepino[3,2-b]pyridine-9-carboxylate
CID 155386865
methyl 8-(4-fluoro-2-methylphenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxylate
CID 58406959
methyl 3-methoxyspiro[6H-[1]benzoxepino[3,2-b]pyridine-5,1'-cyclopropane]-9-carboxylate
CID 138675484
methyl 6,6-diethyl-5-oxo-7,8-dihydronaphthalene-2-carboxylate
CID 102085766
14-acetyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylic acid
CID 12563000
methyl 1,1,4-trioxo-2,3-dihydrothiochromene-7-carboxylate
CID 19354747

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxylate?
The IUPAC name of methyl 6-methoxy-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxylate (CID 134206195) is methyl 6-methoxy-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxylate.
What is the SMILES notation for methyl 6-methoxy-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxylate?
The canonical SMILES for methyl 6-methoxy-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxylate is COC(=O)c1ccc2c(c1)C(=O)c1ccc(OC)nc1CC2.
What is the InChIKey of methyl 6-methoxy-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxylate?
The InChIKey is OJBLERDOWMNAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-21-15-8-6-12-14(18-15)7-5-10-3-4-11(17(20)22-2)9-13(10)16(12)19/h3-4,6,8-9H,5,7H2,1-2H3.
What are the key properties of methyl 6-methoxy-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxylate?
methyl 6-methoxy-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-14-carboxylate is sourced from PubChem (CID 134206195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).