17-(7-methoxy-1,3-benzodioxol-5-yl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one

C21H17NO7 — CID 45490250

IUPAC17-(7-methoxy-1,3-benzodioxol-5-yl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one
SMILESCOc1cc(C2C3=C(COC3=O)Nc3cc4c(cc32)OCCO4)cc2c1OCO2
InChIInChI=1S/C21H17NO7/c1-24-16-4-10(5-17-20(16)29-9-28-17)18-11-6-14-15(26-3-2-25-14)7-12(11)22-13-8-27-21(23)19(13)18/h4-7,18,22H,2-3,8-9H2,1H3
InChIKeyYOHQGFGRJUQCTH-UHFFFAOYSA-N
MW395.37 g/mol
LogP2.56
Rot. Bonds2

About 17-(7-methoxy-1,3-benzodioxol-5-yl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one

17-(7-methoxy-1,3-benzodioxol-5-yl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one (PubChem CID 45490250) has the molecular formula C21H17NO7 and a molecular weight of 395.37 g/mol. Its IUPAC name is 17-(7-methoxy-1,3-benzodioxol-5-yl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one.

Molecular Properties

Compound Name17-(7-methoxy-1,3-benzodioxol-5-yl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one
PubChem CID45490250
Molecular FormulaC21H17NO7
Molecular Weight395.37 g/mol
Exact Mass395.10
IUPAC Name17-(7-methoxy-1,3-benzodioxol-5-yl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one
SMILESCOc1cc(C2C3=C(COC3=O)Nc3cc4c(cc32)OCCO4)cc2c1OCO2
InChIInChI=1S/C21H17NO7/c1-24-16-4-10(5-17-20(16)29-9-28-17)18-11-6-14-15(26-3-2-25-14)7-12(11)22-13-8-27-21(23)19(13)18/h4-7,18,22H,2-3,8-9H2,1H3
InChIKeyYOHQGFGRJUQCTH-UHFFFAOYSA-N
XLogP2.56
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 17-(7-methoxy-1,3-benzodioxol-5-yl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one with MolForge

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Related Compounds

9-(3,4,5-trimethoxyphenyl)-6,9-dihydro[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one
CID 3745250
8-(4-hydroxy-3,5-dimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-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
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-(2-ethoxyphenyl)-7,8-dihydro-(1,3)dioxolo(4,5-g)quinolin-6(5H)-one
CID 656346
8-(3,4,5-trimethoxyphenyl)-7,8-dihydro[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
CID 3158408

Frequently Asked Questions

What is the IUPAC name of 17-(7-methoxy-1,3-benzodioxol-5-yl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one?
The IUPAC name of 17-(7-methoxy-1,3-benzodioxol-5-yl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one (CID 45490250) is 17-(7-methoxy-1,3-benzodioxol-5-yl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one.
What is the SMILES notation for 17-(7-methoxy-1,3-benzodioxol-5-yl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one?
The canonical SMILES for 17-(7-methoxy-1,3-benzodioxol-5-yl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one is COc1cc(C2C3=C(COC3=O)Nc3cc4c(cc32)OCCO4)cc2c1OCO2.
What is the InChIKey of 17-(7-methoxy-1,3-benzodioxol-5-yl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one?
The InChIKey is YOHQGFGRJUQCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO7/c1-24-16-4-10(5-17-20(16)29-9-28-17)18-11-6-14-15(26-3-2-25-14)7-12(11)22-13-8-27-21(23)19(13)18/h4-7,18,22H,2-3,8-9H2,1H3.
What are the key properties of 17-(7-methoxy-1,3-benzodioxol-5-yl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one?
17-(7-methoxy-1,3-benzodioxol-5-yl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one has a molecular weight of 395.37 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(7-methoxy-1,3-benzodioxol-5-yl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one is sourced from PubChem (CID 45490250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).