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

C19H20BrNO2 — CID 10833201

IUPAC15-bromo-11-ethyl-6-methoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene
SMILESCCN1CCc2c(Br)ccc3c2C1Cc1cc(OC)ccc1O3
InChIInChI=1S/C19H20BrNO2/c1-3-21-9-8-14-15(20)5-7-18-19(14)16(21)11-12-10-13(22-2)4-6-17(12)23-18/h4-7,10,16H,3,8-9,11H2,1-2H3
InChIKeyVNJVDPRFGIWXFI-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.73
Rot. Bonds2

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

15-bromo-11-ethyl-6-methoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene (PubChem CID 10833201) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is 15-bromo-11-ethyl-6-methoxy-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-11-ethyl-6-methoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene
PubChem CID10833201
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC Name15-bromo-11-ethyl-6-methoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene
SMILESCCN1CCc2c(Br)ccc3c2C1Cc1cc(OC)ccc1O3
InChIInChI=1S/C19H20BrNO2/c1-3-21-9-8-14-15(20)5-7-18-19(14)16(21)11-12-10-13(22-2)4-6-17(12)23-18/h4-7,10,16H,3,8-9,11H2,1-2H3
InChIKeyVNJVDPRFGIWXFI-UHFFFAOYSA-N
XLogP4.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-bromo-11-ethyl-6-methoxy-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-11-ethyl-6-methoxy-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-11-ethyl-6-methoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene (CID 10833201) is 15-bromo-11-ethyl-6-methoxy-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-11-ethyl-6-methoxy-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-11-ethyl-6-methoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene is CCN1CCc2c(Br)ccc3c2C1Cc1cc(OC)ccc1O3.
What is the InChIKey of 15-bromo-11-ethyl-6-methoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene?
The InChIKey is VNJVDPRFGIWXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO2/c1-3-21-9-8-14-15(20)5-7-18-19(14)16(21)11-12-10-13(22-2)4-6-17(12)23-18/h4-7,10,16H,3,8-9,11H2,1-2H3.
What are the key properties of 15-bromo-11-ethyl-6-methoxy-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,14,16-hexaene?
15-bromo-11-ethyl-6-methoxy-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 374.28 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-bromo-11-ethyl-6-methoxy-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 10833201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).