15-bromo-8-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

C15H8BrNO — CID 145354041

IUPAC15-bromo-8-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
SMILESBrc1cc2c3c(cccc3c1)Oc1ncccc1-2
InChIInChI=1S/C15H8BrNO/c16-10-7-9-3-1-5-13-14(9)12(8-10)11-4-2-6-17-15(11)18-13/h1-8H
InChIKeyRBKPLJDPCAREAA-UHFFFAOYSA-N
MW298.14 g/mol
LogP4.77
Rot. Bonds

About 15-bromo-8-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

15-bromo-8-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene (PubChem CID 145354041) has the molecular formula C15H8BrNO and a molecular weight of 298.14 g/mol. Its IUPAC name is 15-bromo-8-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene.

Molecular Properties

Compound Name15-bromo-8-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
PubChem CID145354041
Molecular FormulaC15H8BrNO
Molecular Weight298.14 g/mol
Exact Mass296.98
IUPAC Name15-bromo-8-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
SMILESBrc1cc2c3c(cccc3c1)Oc1ncccc1-2
InChIInChI=1S/C15H8BrNO/c16-10-7-9-3-1-5-13-14(9)12(8-10)11-4-2-6-17-15(11)18-13/h1-8H
InChIKeyRBKPLJDPCAREAA-UHFFFAOYSA-N
XLogP4.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 15-bromo-8-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
The IUPAC name of 15-bromo-8-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene (CID 145354041) is 15-bromo-8-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene.
What is the SMILES notation for 15-bromo-8-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
The canonical SMILES for 15-bromo-8-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene is Brc1cc2c3c(cccc3c1)Oc1ncccc1-2.
What is the InChIKey of 15-bromo-8-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
The InChIKey is RBKPLJDPCAREAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrNO/c16-10-7-9-3-1-5-13-14(9)12(8-10)11-4-2-6-17-15(11)18-13/h1-8H.
What are the key properties of 15-bromo-8-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
15-bromo-8-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene has a molecular weight of 298.14 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-bromo-8-oxa-6-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene is sourced from PubChem (CID 145354041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).