8-bromo-2,6-dimethylbenzo[h][1,6]naphthyridin-5-one

C14H11BrN2O — CID 176916107

IUPAC8-bromo-2,6-dimethylbenzo[h][1,6]naphthyridin-5-one
SMILESCc1ccc2c(=O)n(C)c3cc(Br)ccc3c2n1
InChIInChI=1S/C14H11BrN2O/c1-8-3-5-11-13(16-8)10-6-4-9(15)7-12(10)17(2)14(11)18/h3-7H,1-2H3
InChIKeyZDDARWVKPPEGFI-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.16
Rot. Bonds

About 8-bromo-2,6-dimethylbenzo[h][1,6]naphthyridin-5-one

8-bromo-2,6-dimethylbenzo[h][1,6]naphthyridin-5-one (PubChem CID 176916107) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 8-bromo-2,6-dimethylbenzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name8-bromo-2,6-dimethylbenzo[h][1,6]naphthyridin-5-one
PubChem CID176916107
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name8-bromo-2,6-dimethylbenzo[h][1,6]naphthyridin-5-one
SMILESCc1ccc2c(=O)n(C)c3cc(Br)ccc3c2n1
InChIInChI=1S/C14H11BrN2O/c1-8-3-5-11-13(16-8)10-6-4-9(15)7-12(10)17(2)14(11)18/h3-7H,1-2H3
InChIKeyZDDARWVKPPEGFI-UHFFFAOYSA-N
XLogP3.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,6-dimethylbenzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 8-bromo-2,6-dimethylbenzo[h][1,6]naphthyridin-5-one (CID 176916107) is 8-bromo-2,6-dimethylbenzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 8-bromo-2,6-dimethylbenzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 8-bromo-2,6-dimethylbenzo[h][1,6]naphthyridin-5-one is Cc1ccc2c(=O)n(C)c3cc(Br)ccc3c2n1.
What is the InChIKey of 8-bromo-2,6-dimethylbenzo[h][1,6]naphthyridin-5-one?
The InChIKey is ZDDARWVKPPEGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c1-8-3-5-11-13(16-8)10-6-4-9(15)7-12(10)17(2)14(11)18/h3-7H,1-2H3.
What are the key properties of 8-bromo-2,6-dimethylbenzo[h][1,6]naphthyridin-5-one?
8-bromo-2,6-dimethylbenzo[h][1,6]naphthyridin-5-one has a molecular weight of 303.16 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,6-dimethylbenzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 176916107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).