15-bromo-6-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene

C18H18BrNO2 — CID 10044041

IUPAC15-bromo-6-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene
SMILESCOc1ccc2c(c1)CC1c3c(ccc(Br)c3CCN1C)O2
InChIInChI=1S/C18H18BrNO2/c1-20-8-7-13-14(19)4-6-17-18(13)15(20)10-11-9-12(21-2)3-5-16(11)22-17/h3-6,9,15H,7-8,10H2,1-2H3
InChIKeyPUNAIHMZORVACK-UHFFFAOYSA-N
MW360.25 g/mol
LogP4.34
Rot. Bonds1

About 15-bromo-6-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene

15-bromo-6-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene (PubChem CID 10044041) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is 15-bromo-6-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene.

Molecular Properties

Compound Name15-bromo-6-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene
PubChem CID10044041
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name15-bromo-6-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene
SMILESCOc1ccc2c(c1)CC1c3c(ccc(Br)c3CCN1C)O2
InChIInChI=1S/C18H18BrNO2/c1-20-8-7-13-14(19)4-6-17-18(13)15(20)10-11-9-12(21-2)3-5-16(11)22-17/h3-6,9,15H,7-8,10H2,1-2H3
InChIKeyPUNAIHMZORVACK-UHFFFAOYSA-N
XLogP4.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-bromo-6-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-bromo-6-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene?
The IUPAC name of 15-bromo-6-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene (CID 10044041) is 15-bromo-6-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene.
What is the SMILES notation for 15-bromo-6-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene?
The canonical SMILES for 15-bromo-6-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene is COc1ccc2c(c1)CC1c3c(ccc(Br)c3CCN1C)O2.
What is the InChIKey of 15-bromo-6-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene?
The InChIKey is PUNAIHMZORVACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-20-8-7-13-14(19)4-6-17-18(13)15(20)10-11-9-12(21-2)3-5-16(11)22-17/h3-6,9,15H,7-8,10H2,1-2H3.
What are the key properties of 15-bromo-6-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene?
15-bromo-6-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene has a molecular weight of 360.25 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-bromo-6-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene is sourced from PubChem (CID 10044041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).