[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone

C15H16N2O2S — CID 97463683

IUPAC[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone
SMILESCOCc1cncc2c1CCN(C(=O)c1ccsc1)C2
InChIInChI=1S/C15H16N2O2S/c1-19-9-13-7-16-6-12-8-17(4-2-14(12)13)15(18)11-3-5-20-10-11/h3,5-7,10H,2,4,8-9H2,1H3
InChIKeyKCPKXUQJAXGACB-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.49
Rot. Bonds3

About [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone

[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone (PubChem CID 97463683) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone
PubChem CID97463683
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone
SMILESCOCc1cncc2c1CCN(C(=O)c1ccsc1)C2
InChIInChI=1S/C15H16N2O2S/c1-19-9-13-7-16-6-12-8-17(4-2-14(12)13)15(18)11-3-5-20-10-11/h3,5-7,10H,2,4,8-9H2,1H3
InChIKeyKCPKXUQJAXGACB-UHFFFAOYSA-N
XLogP2.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone?
The IUPAC name of [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone (CID 97463683) is [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone is COCc1cncc2c1CCN(C(=O)c1ccsc1)C2.
What is the InChIKey of [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone?
The InChIKey is KCPKXUQJAXGACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-19-9-13-7-16-6-12-8-17(4-2-14(12)13)15(18)11-3-5-20-10-11/h3,5-7,10H,2,4,8-9H2,1H3.
What are the key properties of [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone?
[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone has a molecular weight of 288.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 97463683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).