12-bromo-7-hydroxy-3-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one

C16H10BrNO2 — CID 21252842

IUPAC12-bromo-7-hydroxy-3-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one
SMILESCc1cn2c3ccc(Br)cc3c3cc(O)cc(c1=O)c32
InChIInChI=1S/C16H10BrNO2/c1-8-7-18-14-3-2-9(17)4-11(14)12-5-10(19)6-13(15(12)18)16(8)20/h2-7,19H,1H3
InChIKeySAHAQOCLBXZMOO-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.82
Rot. Bonds

About 12-bromo-7-hydroxy-3-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one

12-bromo-7-hydroxy-3-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one (PubChem CID 21252842) has the molecular formula C16H10BrNO2 and a molecular weight of 328.17 g/mol. Its IUPAC name is 12-bromo-7-hydroxy-3-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one.

Molecular Properties

Compound Name12-bromo-7-hydroxy-3-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one
PubChem CID21252842
Molecular FormulaC16H10BrNO2
Molecular Weight328.17 g/mol
Exact Mass326.99
IUPAC Name12-bromo-7-hydroxy-3-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one
SMILESCc1cn2c3ccc(Br)cc3c3cc(O)cc(c1=O)c32
InChIInChI=1S/C16H10BrNO2/c1-8-7-18-14-3-2-9(17)4-11(14)12-5-10(19)6-13(15(12)18)16(8)20/h2-7,19H,1H3
InChIKeySAHAQOCLBXZMOO-UHFFFAOYSA-N
XLogP3.82
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 12-bromo-7-hydroxy-3-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 12-bromo-7-hydroxy-3-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one?
The IUPAC name of 12-bromo-7-hydroxy-3-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one (CID 21252842) is 12-bromo-7-hydroxy-3-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one.
What is the SMILES notation for 12-bromo-7-hydroxy-3-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one?
The canonical SMILES for 12-bromo-7-hydroxy-3-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one is Cc1cn2c3ccc(Br)cc3c3cc(O)cc(c1=O)c32.
What is the InChIKey of 12-bromo-7-hydroxy-3-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one?
The InChIKey is SAHAQOCLBXZMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO2/c1-8-7-18-14-3-2-9(17)4-11(14)12-5-10(19)6-13(15(12)18)16(8)20/h2-7,19H,1H3.
What are the key properties of 12-bromo-7-hydroxy-3-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one?
12-bromo-7-hydroxy-3-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one has a molecular weight of 328.17 g/mol, XLogP of 3.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-bromo-7-hydroxy-3-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one is sourced from PubChem (CID 21252842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).