4-phenyl-7H-thieno[3,2-b][1,6]naphthyridine-8,9-dione

C16H10N2O2S — CID 118561719

IUPAC4-phenyl-7H-thieno[3,2-b][1,6]naphthyridine-8,9-dione
SMILESO=c1[nH]ccc2c1c(=O)c1sccc1n2-c1ccccc1
InChIInChI=1S/C16H10N2O2S/c19-14-13-11(6-8-17-16(13)20)18(10-4-2-1-3-5-10)12-7-9-21-15(12)14/h1-9H,(H,17,20)
InChIKeyMKHMBKUQLLHZGO-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.89
Rot. Bonds1

About 4-phenyl-7H-thieno[3,2-b][1,6]naphthyridine-8,9-dione

4-phenyl-7H-thieno[3,2-b][1,6]naphthyridine-8,9-dione (PubChem CID 118561719) has the molecular formula C16H10N2O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-phenyl-7H-thieno[3,2-b][1,6]naphthyridine-8,9-dione.

Molecular Properties

Compound Name4-phenyl-7H-thieno[3,2-b][1,6]naphthyridine-8,9-dione
PubChem CID118561719
Molecular FormulaC16H10N2O2S
Molecular Weight294.34 g/mol
Exact Mass294.05
IUPAC Name4-phenyl-7H-thieno[3,2-b][1,6]naphthyridine-8,9-dione
SMILESO=c1[nH]ccc2c1c(=O)c1sccc1n2-c1ccccc1
InChIInChI=1S/C16H10N2O2S/c19-14-13-11(6-8-17-16(13)20)18(10-4-2-1-3-5-10)12-7-9-21-15(12)14/h1-9H,(H,17,20)
InChIKeyMKHMBKUQLLHZGO-UHFFFAOYSA-N
XLogP2.89
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-7H-thieno[3,2-b][1,6]naphthyridine-8,9-dione?
The IUPAC name of 4-phenyl-7H-thieno[3,2-b][1,6]naphthyridine-8,9-dione (CID 118561719) is 4-phenyl-7H-thieno[3,2-b][1,6]naphthyridine-8,9-dione.
What is the SMILES notation for 4-phenyl-7H-thieno[3,2-b][1,6]naphthyridine-8,9-dione?
The canonical SMILES for 4-phenyl-7H-thieno[3,2-b][1,6]naphthyridine-8,9-dione is O=c1[nH]ccc2c1c(=O)c1sccc1n2-c1ccccc1.
What is the InChIKey of 4-phenyl-7H-thieno[3,2-b][1,6]naphthyridine-8,9-dione?
The InChIKey is MKHMBKUQLLHZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2S/c19-14-13-11(6-8-17-16(13)20)18(10-4-2-1-3-5-10)12-7-9-21-15(12)14/h1-9H,(H,17,20).
What are the key properties of 4-phenyl-7H-thieno[3,2-b][1,6]naphthyridine-8,9-dione?
4-phenyl-7H-thieno[3,2-b][1,6]naphthyridine-8,9-dione has a molecular weight of 294.34 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-7H-thieno[3,2-b][1,6]naphthyridine-8,9-dione is sourced from PubChem (CID 118561719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).