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

C10H10N2OS — CID 118944736

IUPAC6,7,8,9-tetrahydro-4H-thieno[3,2-c][2,7]naphthyridin-5-one
SMILESO=c1[nH]c2ccsc2c2c1CNCC2
InChIInChI=1S/C10H10N2OS/c13-10-7-5-11-3-1-6(7)9-8(12-10)2-4-14-9/h2,4,11H,1,3,5H2,(H,12,13)
InChIKeyLJNRKFOATOCYES-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.24
Rot. Bonds

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

6,7,8,9-tetrahydro-4H-thieno[3,2-c][2,7]naphthyridin-5-one (PubChem CID 118944736) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-4H-thieno[3,2-c][2,7]naphthyridin-5-one.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-4H-thieno[3,2-c][2,7]naphthyridin-5-one
PubChem CID118944736
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name6,7,8,9-tetrahydro-4H-thieno[3,2-c][2,7]naphthyridin-5-one
SMILESO=c1[nH]c2ccsc2c2c1CNCC2
InChIInChI=1S/C10H10N2OS/c13-10-7-5-11-3-1-6(7)9-8(12-10)2-4-14-9/h2,4,11H,1,3,5H2,(H,12,13)
InChIKeyLJNRKFOATOCYES-UHFFFAOYSA-N
XLogP1.24
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-4H-thieno[3,2-c][2,7]naphthyridin-5-one?
The IUPAC name of 6,7,8,9-tetrahydro-4H-thieno[3,2-c][2,7]naphthyridin-5-one (CID 118944736) is 6,7,8,9-tetrahydro-4H-thieno[3,2-c][2,7]naphthyridin-5-one.
What is the SMILES notation for 6,7,8,9-tetrahydro-4H-thieno[3,2-c][2,7]naphthyridin-5-one?
The canonical SMILES for 6,7,8,9-tetrahydro-4H-thieno[3,2-c][2,7]naphthyridin-5-one is O=c1[nH]c2ccsc2c2c1CNCC2.
What is the InChIKey of 6,7,8,9-tetrahydro-4H-thieno[3,2-c][2,7]naphthyridin-5-one?
The InChIKey is LJNRKFOATOCYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c13-10-7-5-11-3-1-6(7)9-8(12-10)2-4-14-9/h2,4,11H,1,3,5H2,(H,12,13).
What are the key properties of 6,7,8,9-tetrahydro-4H-thieno[3,2-c][2,7]naphthyridin-5-one?
6,7,8,9-tetrahydro-4H-thieno[3,2-c][2,7]naphthyridin-5-one has a molecular weight of 206.27 g/mol, XLogP of 1.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-4H-thieno[3,2-c][2,7]naphthyridin-5-one is sourced from PubChem (CID 118944736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).