4-bromo-17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene

C17H16BrN — CID 15650258

IUPAC4-bromo-17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene
SMILESCN1CC2c3cc(Br)ccc3CC1c1ccccc12
InChIInChI=1S/C17H16BrN/c1-19-10-16-13-4-2-3-5-14(13)17(19)8-11-6-7-12(18)9-15(11)16/h2-7,9,16-17H,8,10H2,1H3
InChIKeyOVQRWEJLPKMARV-UHFFFAOYSA-N
MW314.23 g/mol
LogP4.12
Rot. Bonds

About 4-bromo-17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene

4-bromo-17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene (PubChem CID 15650258) has the molecular formula C17H16BrN and a molecular weight of 314.23 g/mol. Its IUPAC name is 4-bromo-17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene.

Molecular Properties

Compound Name4-bromo-17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene
PubChem CID15650258
Molecular FormulaC17H16BrN
Molecular Weight314.23 g/mol
Exact Mass313.05
IUPAC Name4-bromo-17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene
SMILESCN1CC2c3cc(Br)ccc3CC1c1ccccc12
InChIInChI=1S/C17H16BrN/c1-19-10-16-13-4-2-3-5-14(13)17(19)8-11-6-7-12(18)9-15(11)16/h2-7,9,16-17H,8,10H2,1H3
InChIKeyOVQRWEJLPKMARV-UHFFFAOYSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene?
The IUPAC name of 4-bromo-17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene (CID 15650258) is 4-bromo-17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene.
What is the SMILES notation for 4-bromo-17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene?
The canonical SMILES for 4-bromo-17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene is CN1CC2c3cc(Br)ccc3CC1c1ccccc12.
What is the InChIKey of 4-bromo-17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene?
The InChIKey is OVQRWEJLPKMARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN/c1-19-10-16-13-4-2-3-5-14(13)17(19)8-11-6-7-12(18)9-15(11)16/h2-7,9,16-17H,8,10H2,1H3.
What are the key properties of 4-bromo-17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene?
4-bromo-17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene has a molecular weight of 314.23 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene is sourced from PubChem (CID 15650258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).