9-bromo-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one

C12H9BrN2OS — CID 171549551

IUPAC9-bromo-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one
SMILESCc1nc(C)c2[nH]c(=O)c3sccc3c2c1Br
InChIInChI=1S/C12H9BrN2OS/c1-5-9(13)8-7-3-4-17-11(7)12(16)15-10(8)6(2)14-5/h3-4H,1-2H3,(H,15,16)
InChIKeyFSKHYUGICGUAJP-UHFFFAOYSA-N
MW309.19 g/mol
LogP3.52
Rot. Bonds

About 9-bromo-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one

9-bromo-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one (PubChem CID 171549551) has the molecular formula C12H9BrN2OS and a molecular weight of 309.19 g/mol. Its IUPAC name is 9-bromo-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one.

Molecular Properties

Compound Name9-bromo-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one
PubChem CID171549551
Molecular FormulaC12H9BrN2OS
Molecular Weight309.19 g/mol
Exact Mass307.96
IUPAC Name9-bromo-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one
SMILESCc1nc(C)c2[nH]c(=O)c3sccc3c2c1Br
InChIInChI=1S/C12H9BrN2OS/c1-5-9(13)8-7-3-4-17-11(7)12(16)15-10(8)6(2)14-5/h3-4H,1-2H3,(H,15,16)
InChIKeyFSKHYUGICGUAJP-UHFFFAOYSA-N
XLogP3.52
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one?
The IUPAC name of 9-bromo-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one (CID 171549551) is 9-bromo-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one.
What is the SMILES notation for 9-bromo-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one?
The canonical SMILES for 9-bromo-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one is Cc1nc(C)c2[nH]c(=O)c3sccc3c2c1Br.
What is the InChIKey of 9-bromo-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one?
The InChIKey is FSKHYUGICGUAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2OS/c1-5-9(13)8-7-3-4-17-11(7)12(16)15-10(8)6(2)14-5/h3-4H,1-2H3,(H,15,16).
What are the key properties of 9-bromo-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one?
9-bromo-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one has a molecular weight of 309.19 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one is sourced from PubChem (CID 171549551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).