16-methoxy-11-methyl-6-(pyridin-2-ylmethoxy)-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,9,13(17),14-heptaen-12-one

C23H18N2O4 — CID 146673478

IUPAC16-methoxy-11-methyl-6-(pyridin-2-ylmethoxy)-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,9,13(17),14-heptaen-12-one
SMILESCOc1ccc2c3c1Oc1ccc(OCc4ccccn4)cc1C=C3N(C)C2=O
InChIInChI=1S/C23H18N2O4/c1-25-18-12-14-11-16(28-13-15-5-3-4-10-24-15)6-8-19(14)29-22-20(27-2)9-7-17(21(18)22)23(25)26/h3-12H,13H2,1-2H3
InChIKeyHNCQBIVHPUSTSM-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.36
Rot. Bonds4

About 16-methoxy-11-methyl-6-(pyridin-2-ylmethoxy)-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,9,13(17),14-heptaen-12-one

16-methoxy-11-methyl-6-(pyridin-2-ylmethoxy)-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,9,13(17),14-heptaen-12-one (PubChem CID 146673478) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 16-methoxy-11-methyl-6-(pyridin-2-ylmethoxy)-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,9,13(17),14-heptaen-12-one.

Molecular Properties

Compound Name16-methoxy-11-methyl-6-(pyridin-2-ylmethoxy)-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,9,13(17),14-heptaen-12-one
PubChem CID146673478
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name16-methoxy-11-methyl-6-(pyridin-2-ylmethoxy)-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,9,13(17),14-heptaen-12-one
SMILESCOc1ccc2c3c1Oc1ccc(OCc4ccccn4)cc1C=C3N(C)C2=O
InChIInChI=1S/C23H18N2O4/c1-25-18-12-14-11-16(28-13-15-5-3-4-10-24-15)6-8-19(14)29-22-20(27-2)9-7-17(21(18)22)23(25)26/h3-12H,13H2,1-2H3
InChIKeyHNCQBIVHPUSTSM-UHFFFAOYSA-N
XLogP4.36
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 16-methoxy-11-methyl-6-(pyridin-2-ylmethoxy)-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,9,13(17),14-heptaen-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-methoxy-11-methyl-6-(pyridin-2-ylmethoxy)-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,9,13(17),14-heptaen-12-one?
The IUPAC name of 16-methoxy-11-methyl-6-(pyridin-2-ylmethoxy)-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,9,13(17),14-heptaen-12-one (CID 146673478) is 16-methoxy-11-methyl-6-(pyridin-2-ylmethoxy)-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,9,13(17),14-heptaen-12-one.
What is the SMILES notation for 16-methoxy-11-methyl-6-(pyridin-2-ylmethoxy)-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,9,13(17),14-heptaen-12-one?
The canonical SMILES for 16-methoxy-11-methyl-6-(pyridin-2-ylmethoxy)-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,9,13(17),14-heptaen-12-one is COc1ccc2c3c1Oc1ccc(OCc4ccccn4)cc1C=C3N(C)C2=O.
What is the InChIKey of 16-methoxy-11-methyl-6-(pyridin-2-ylmethoxy)-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,9,13(17),14-heptaen-12-one?
The InChIKey is HNCQBIVHPUSTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-25-18-12-14-11-16(28-13-15-5-3-4-10-24-15)6-8-19(14)29-22-20(27-2)9-7-17(21(18)22)23(25)26/h3-12H,13H2,1-2H3.
What are the key properties of 16-methoxy-11-methyl-6-(pyridin-2-ylmethoxy)-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,9,13(17),14-heptaen-12-one?
16-methoxy-11-methyl-6-(pyridin-2-ylmethoxy)-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,9,13(17),14-heptaen-12-one has a molecular weight of 386.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methoxy-11-methyl-6-(pyridin-2-ylmethoxy)-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),4,6,9,13(17),14-heptaen-12-one is sourced from PubChem (CID 146673478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).