5-(methoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine

C15H18N2OS — CID 97463675

IUPAC5-(methoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESCOCc1cncc2c1CCN(Cc1cccs1)C2
InChIInChI=1S/C15H18N2OS/c1-18-11-13-8-16-7-12-9-17(5-4-15(12)13)10-14-3-2-6-19-14/h2-3,6-8H,4-5,9-11H2,1H3
InChIKeyVBJGLMRVIHPIEI-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.85
Rot. Bonds4

About 5-(methoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine

5-(methoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 97463675) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-(methoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name5-(methoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID97463675
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name5-(methoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESCOCc1cncc2c1CCN(Cc1cccs1)C2
InChIInChI=1S/C15H18N2OS/c1-18-11-13-8-16-7-12-9-17(5-4-15(12)13)10-14-3-2-6-19-14/h2-3,6-8H,4-5,9-11H2,1H3
InChIKeyVBJGLMRVIHPIEI-UHFFFAOYSA-N
XLogP2.85
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 5-(methoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine (CID 97463675) is 5-(methoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 5-(methoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 5-(methoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine is COCc1cncc2c1CCN(Cc1cccs1)C2.
What is the InChIKey of 5-(methoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is VBJGLMRVIHPIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-18-11-13-8-16-7-12-9-17(5-4-15(12)13)10-14-3-2-6-19-14/h2-3,6-8H,4-5,9-11H2,1H3.
What are the key properties of 5-(methoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine?
5-(methoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 274.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 97463675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).