8-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one

C22H19NO5 — CID 46949594

IUPAC8-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one
SMILESCOc1cc(C2C3=C(COC3=O)Nc3cc4c(cc32)CCC4)cc2c1OCO2
InChIInChI=1S/C22H19NO5/c1-25-17-7-13(8-18-21(17)28-10-27-18)19-14-5-11-3-2-4-12(11)6-15(14)23-16-9-26-22(24)20(16)19/h5-8,19,23H,2-4,9-10H2,1H3
InChIKeyHTJYIHIQSZPFGZ-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.28
Rot. Bonds2

About 8-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one

8-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one (PubChem CID 46949594) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is 8-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one.

Molecular Properties

Compound Name8-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one
PubChem CID46949594
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Name8-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one
SMILESCOc1cc(C2C3=C(COC3=O)Nc3cc4c(cc32)CCC4)cc2c1OCO2
InChIInChI=1S/C22H19NO5/c1-25-17-7-13(8-18-21(17)28-10-27-18)19-14-5-11-3-2-4-12(11)6-15(14)23-16-9-26-22(24)20(16)19/h5-8,19,23H,2-4,9-10H2,1H3
InChIKeyHTJYIHIQSZPFGZ-UHFFFAOYSA-N
XLogP3.28
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one?
The IUPAC name of 8-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one (CID 46949594) is 8-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one.
What is the SMILES notation for 8-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one?
The canonical SMILES for 8-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one is COc1cc(C2C3=C(COC3=O)Nc3cc4c(cc32)CCC4)cc2c1OCO2.
What is the InChIKey of 8-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one?
The InChIKey is HTJYIHIQSZPFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c1-25-17-7-13(8-18-21(17)28-10-27-18)19-14-5-11-3-2-4-12(11)6-15(14)23-16-9-26-22(24)20(16)19/h5-8,19,23H,2-4,9-10H2,1H3.
What are the key properties of 8-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one?
8-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one has a molecular weight of 377.40 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one is sourced from PubChem (CID 46949594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).