[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-3-ylmethanone

C16H18N2O3S — CID 91917893

IUPAC[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-3-ylmethanone
SMILESCOCCOc1ccc2c(n1)CCN(C(=O)c1ccsc1)C2
InChIInChI=1S/C16H18N2O3S/c1-20-7-8-21-15-3-2-12-10-18(6-4-14(12)17-15)16(19)13-5-9-22-11-13/h2-3,5,9,11H,4,6-8,10H2,1H3
InChIKeyVROGVABJOQOIFJ-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.37
Rot. Bonds5

About [2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-3-ylmethanone

[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-3-ylmethanone (PubChem CID 91917893) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is [2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-3-ylmethanone
PubChem CID91917893
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-3-ylmethanone
SMILESCOCCOc1ccc2c(n1)CCN(C(=O)c1ccsc1)C2
InChIInChI=1S/C16H18N2O3S/c1-20-7-8-21-15-3-2-12-10-18(6-4-14(12)17-15)16(19)13-5-9-22-11-13/h2-3,5,9,11H,4,6-8,10H2,1H3
InChIKeyVROGVABJOQOIFJ-UHFFFAOYSA-N
XLogP2.37
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-3-ylmethanone?
The IUPAC name of [2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-3-ylmethanone (CID 91917893) is [2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-3-ylmethanone is COCCOc1ccc2c(n1)CCN(C(=O)c1ccsc1)C2.
What is the InChIKey of [2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-3-ylmethanone?
The InChIKey is VROGVABJOQOIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-20-7-8-21-15-3-2-12-10-18(6-4-14(12)17-15)16(19)13-5-9-22-11-13/h2-3,5,9,11H,4,6-8,10H2,1H3.
What are the key properties of [2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-3-ylmethanone?
[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-3-ylmethanone has a molecular weight of 318.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 91917893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).