7-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one

C19H21N3O2S — CID 72544296

IUPAC7-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2ccc(OCCCCN3CCc4sccc4C3)nc2[nH]1
InChIInChI=1S/C19H21N3O2S/c23-17-5-3-14-4-6-18(21-19(14)20-17)24-11-2-1-9-22-10-7-16-15(13-22)8-12-25-16/h3-6,8,12H,1-2,7,9-11,13H2,(H,20,21,23)
InChIKeyWYYZHVVYHOSNJX-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.20
Rot. Bonds6

About 7-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one

7-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one (PubChem CID 72544296) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 7-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one
PubChem CID72544296
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name7-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2ccc(OCCCCN3CCc4sccc4C3)nc2[nH]1
InChIInChI=1S/C19H21N3O2S/c23-17-5-3-14-4-6-18(21-19(14)20-17)24-11-2-1-9-22-10-7-16-15(13-22)8-12-25-16/h3-6,8,12H,1-2,7,9-11,13H2,(H,20,21,23)
InChIKeyWYYZHVVYHOSNJX-UHFFFAOYSA-N
XLogP3.20
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-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 7-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one (CID 72544296) is 7-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one is O=c1ccc2ccc(OCCCCN3CCc4sccc4C3)nc2[nH]1.
What is the InChIKey of 7-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one?
The InChIKey is WYYZHVVYHOSNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-17-5-3-14-4-6-18(21-19(14)20-17)24-11-2-1-9-22-10-7-16-15(13-22)8-12-25-16/h3-6,8,12H,1-2,7,9-11,13H2,(H,20,21,23).
What are the key properties of 7-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one?
7-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one has a molecular weight of 355.46 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 72544296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).