1-methyl-7-(2-thiophen-2-yloxyethyl)-3,4-dihydro-2H-1,8-naphthyridine

C15H18N2OS — CID 59823443

IUPAC1-methyl-7-(2-thiophen-2-yloxyethyl)-3,4-dihydro-2H-1,8-naphthyridine
SMILESCN1CCCc2ccc(CCOc3cccs3)nc21
InChIInChI=1S/C15H18N2OS/c1-17-9-2-4-12-6-7-13(16-15(12)17)8-10-18-14-5-3-11-19-14/h3,5-7,11H,2,4,8-10H2,1H3
InChIKeyNTQAANMTUUFRBX-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.15
Rot. Bonds4

About 1-methyl-7-(2-thiophen-2-yloxyethyl)-3,4-dihydro-2H-1,8-naphthyridine

1-methyl-7-(2-thiophen-2-yloxyethyl)-3,4-dihydro-2H-1,8-naphthyridine (PubChem CID 59823443) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-methyl-7-(2-thiophen-2-yloxyethyl)-3,4-dihydro-2H-1,8-naphthyridine.

Molecular Properties

Compound Name1-methyl-7-(2-thiophen-2-yloxyethyl)-3,4-dihydro-2H-1,8-naphthyridine
PubChem CID59823443
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-methyl-7-(2-thiophen-2-yloxyethyl)-3,4-dihydro-2H-1,8-naphthyridine
SMILESCN1CCCc2ccc(CCOc3cccs3)nc21
InChIInChI=1S/C15H18N2OS/c1-17-9-2-4-12-6-7-13(16-15(12)17)8-10-18-14-5-3-11-19-14/h3,5-7,11H,2,4,8-10H2,1H3
InChIKeyNTQAANMTUUFRBX-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(2-thiophen-2-yloxyethyl)-3,4-dihydro-2H-1,8-naphthyridine?
The IUPAC name of 1-methyl-7-(2-thiophen-2-yloxyethyl)-3,4-dihydro-2H-1,8-naphthyridine (CID 59823443) is 1-methyl-7-(2-thiophen-2-yloxyethyl)-3,4-dihydro-2H-1,8-naphthyridine.
What is the SMILES notation for 1-methyl-7-(2-thiophen-2-yloxyethyl)-3,4-dihydro-2H-1,8-naphthyridine?
The canonical SMILES for 1-methyl-7-(2-thiophen-2-yloxyethyl)-3,4-dihydro-2H-1,8-naphthyridine is CN1CCCc2ccc(CCOc3cccs3)nc21.
What is the InChIKey of 1-methyl-7-(2-thiophen-2-yloxyethyl)-3,4-dihydro-2H-1,8-naphthyridine?
The InChIKey is NTQAANMTUUFRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-17-9-2-4-12-6-7-13(16-15(12)17)8-10-18-14-5-3-11-19-14/h3,5-7,11H,2,4,8-10H2,1H3.
What are the key properties of 1-methyl-7-(2-thiophen-2-yloxyethyl)-3,4-dihydro-2H-1,8-naphthyridine?
1-methyl-7-(2-thiophen-2-yloxyethyl)-3,4-dihydro-2H-1,8-naphthyridine has a molecular weight of 274.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(2-thiophen-2-yloxyethyl)-3,4-dihydro-2H-1,8-naphthyridine is sourced from PubChem (CID 59823443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).