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

C20H15NO7 — CID 42648316

IUPAC8-(7-methoxy-1,3-benzodioxol-5-yl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
SMILESCOc1cc(C2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc2c1OCO2
InChIInChI=1S/C20H15NO7/c1-23-15-2-9(3-16-19(15)28-8-27-16)17-10-4-13-14(26-7-25-13)5-11(10)21-12-6-24-20(22)18(12)17/h2-5,17,21H,6-8H2,1H3
InChIKeyYJNRXXHBRODLRR-UHFFFAOYSA-N
MW381.34 g/mol
LogP2.52
Rot. Bonds2

About 8-(7-methoxy-1,3-benzodioxol-5-yl)-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-(7-methoxy-1,3-benzodioxol-5-yl)-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 42648316) has the molecular formula C20H15NO7 and a molecular weight of 381.34 g/mol. Its IUPAC name is 8-(7-methoxy-1,3-benzodioxol-5-yl)-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-(7-methoxy-1,3-benzodioxol-5-yl)-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 CID42648316
Molecular FormulaC20H15NO7
Molecular Weight381.34 g/mol
Exact Mass381.08
IUPAC Name8-(7-methoxy-1,3-benzodioxol-5-yl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
SMILESCOc1cc(C2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc2c1OCO2
InChIInChI=1S/C20H15NO7/c1-23-15-2-9(3-16-19(15)28-8-27-16)17-10-4-13-14(26-7-25-13)5-11(10)21-12-6-24-20(22)18(12)17/h2-5,17,21H,6-8H2,1H3
InChIKeyYJNRXXHBRODLRR-UHFFFAOYSA-N
XLogP2.52
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(7-methoxy-1,3-benzodioxol-5-yl)-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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Related Compounds

8-(4-hydroxy-3,5-dimethoxyphenyl)-7,8-dihydro[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
CID 2997123
6-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,9-dihydrofuro[3,4-b]quinolin-1(3H)-one
CID 46949030
9-(3,4-Dimethoxyphenyl)-6,9-dihydro[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one
CID 3310941
9-Phenyl-6,9-dihydro[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one
CID 3489043
9-(3,4,5-trimethoxyphenyl)-6,9-dihydro[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one
CID 3745250
10-(3,4,5-trimethoxyphenyl)-2,3,7,10-tetrahydro[1,4]dioxino[2,3-g]furo[3,4-b]quinolin-9(6H)-one
CID 9953427
9-(3-Methoxyphenyl)-6,9-dihydro[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one
CID 18549630
9-(1,3-benzodioxol-5-yl)-6,9-dihydro[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one
CID 18549642
9-(4-Methoxyphenyl)-6,9-dihydro[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one
CID 18549660
9-(3,5-Dimethoxyphenyl)-6-methoxy-4,9-dihydrofuro[3,4-b]quinolin-1(3H)-one
CID 44593137
8-(3,4,5-trimethoxyphenyl)-7,8-dihydro[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
CID 3158408
9-(2,3,4,5-tetramethoxyphenyl)-6,9-dihydro[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one
CID 42648319

Frequently Asked Questions

What is the IUPAC name of 8-(7-methoxy-1,3-benzodioxol-5-yl)-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-(7-methoxy-1,3-benzodioxol-5-yl)-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 42648316) is 8-(7-methoxy-1,3-benzodioxol-5-yl)-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-(7-methoxy-1,3-benzodioxol-5-yl)-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-(7-methoxy-1,3-benzodioxol-5-yl)-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 COc1cc(C2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc2c1OCO2.
What is the InChIKey of 8-(7-methoxy-1,3-benzodioxol-5-yl)-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 YJNRXXHBRODLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO7/c1-23-15-2-9(3-16-19(15)28-8-27-16)17-10-4-13-14(26-7-25-13)5-11(10)21-12-6-24-20(22)18(12)17/h2-5,17,21H,6-8H2,1H3.
What are the key properties of 8-(7-methoxy-1,3-benzodioxol-5-yl)-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-(7-methoxy-1,3-benzodioxol-5-yl)-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 381.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-methoxy-1,3-benzodioxol-5-yl)-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 42648316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).