8-(3,4-dimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one

C20H17NO6 — CID 3310941

IUPAC8-(3,4-dimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
SMILESCOc1ccc(C2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc1OC
InChIInChI=1S/C20H17NO6/c1-23-14-4-3-10(5-15(14)24-2)18-11-6-16-17(27-9-26-16)7-12(11)21-13-8-25-20(22)19(13)18/h3-7,18,21H,8-9H2,1-2H3
InChIKeyBBMOVSVMXDPQAD-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.80
Rot. Bonds3

About 8-(3,4-dimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one

8-(3,4-dimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one (PubChem CID 3310941) has the molecular formula C20H17NO6 and a molecular weight of 367.36 g/mol. Its IUPAC name is 8-(3,4-dimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one.

Molecular Properties

Compound Name8-(3,4-dimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
PubChem CID3310941
Molecular FormulaC20H17NO6
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name8-(3,4-dimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
SMILESCOc1ccc(C2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc1OC
InChIInChI=1S/C20H17NO6/c1-23-14-4-3-10(5-15(14)24-2)18-11-6-16-17(27-9-26-16)7-12(11)21-13-8-25-20(22)19(13)18/h3-7,18,21H,8-9H2,1-2H3
InChIKeyBBMOVSVMXDPQAD-UHFFFAOYSA-N
XLogP2.80
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(3,4-dimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one?
The IUPAC name of 8-(3,4-dimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one (CID 3310941) is 8-(3,4-dimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one.
What is the SMILES notation for 8-(3,4-dimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one?
The canonical SMILES for 8-(3,4-dimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one is COc1ccc(C2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc1OC.
What is the InChIKey of 8-(3,4-dimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one?
The InChIKey is BBMOVSVMXDPQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO6/c1-23-14-4-3-10(5-15(14)24-2)18-11-6-16-17(27-9-26-16)7-12(11)21-13-8-25-20(22)19(13)18/h3-7,18,21H,8-9H2,1-2H3.
What are the key properties of 8-(3,4-dimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one?
8-(3,4-dimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one has a molecular weight of 367.36 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one is sourced from PubChem (CID 3310941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).