6-bromo-7-chloro-12-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one

C12H10BrClN2O — CID 155278124

IUPAC6-bromo-7-chloro-12-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
SMILESCC1CNC(=O)c2c(Cl)c(Br)cc3ccn1c23
InChIInChI=1S/C12H10BrClN2O/c1-6-5-15-12(17)9-10(14)8(13)4-7-2-3-16(6)11(7)9/h2-4,6H,5H2,1H3,(H,15,17)
InChIKeyWLGPCEAIEYLPOY-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.36
Rot. Bonds

About 6-bromo-7-chloro-12-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one

6-bromo-7-chloro-12-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one (PubChem CID 155278124) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is 6-bromo-7-chloro-12-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one.

Molecular Properties

Compound Name6-bromo-7-chloro-12-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
PubChem CID155278124
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name6-bromo-7-chloro-12-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
SMILESCC1CNC(=O)c2c(Cl)c(Br)cc3ccn1c23
InChIInChI=1S/C12H10BrClN2O/c1-6-5-15-12(17)9-10(14)8(13)4-7-2-3-16(6)11(7)9/h2-4,6H,5H2,1H3,(H,15,17)
InChIKeyWLGPCEAIEYLPOY-UHFFFAOYSA-N
XLogP3.36
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-7-chloro-12-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-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 6-bromo-7-chloro-12-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one?
The IUPAC name of 6-bromo-7-chloro-12-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one (CID 155278124) is 6-bromo-7-chloro-12-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one.
What is the SMILES notation for 6-bromo-7-chloro-12-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one?
The canonical SMILES for 6-bromo-7-chloro-12-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one is CC1CNC(=O)c2c(Cl)c(Br)cc3ccn1c23.
What is the InChIKey of 6-bromo-7-chloro-12-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one?
The InChIKey is WLGPCEAIEYLPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c1-6-5-15-12(17)9-10(14)8(13)4-7-2-3-16(6)11(7)9/h2-4,6H,5H2,1H3,(H,15,17).
What are the key properties of 6-bromo-7-chloro-12-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one?
6-bromo-7-chloro-12-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one has a molecular weight of 313.58 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-chloro-12-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one is sourced from PubChem (CID 155278124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).