3-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridine

C10H14N2O — CID 119030370

IUPAC3-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESCCOc1cnc2c(c1)CNCC2
InChIInChI=1S/C10H14N2O/c1-2-13-9-5-8-6-11-4-3-10(8)12-7-9/h5,7,11H,2-4,6H2,1H3
InChIKeyZXXLKTRQGXAOPD-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.13
Rot. Bonds2

About 3-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridine

3-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 119030370) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Name3-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridine
PubChem CID119030370
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESCCOc1cnc2c(c1)CNCC2
InChIInChI=1S/C10H14N2O/c1-2-13-9-5-8-6-11-4-3-10(8)12-7-9/h5,7,11H,2-4,6H2,1H3
InChIKeyZXXLKTRQGXAOPD-UHFFFAOYSA-N
XLogP1.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridine?
The IUPAC name of 3-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 119030370) is 3-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for 3-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridine?
The canonical SMILES for 3-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridine is CCOc1cnc2c(c1)CNCC2.
What is the InChIKey of 3-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridine?
The InChIKey is ZXXLKTRQGXAOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-13-9-5-8-6-11-4-3-10(8)12-7-9/h5,7,11H,2-4,6H2,1H3.
What are the key properties of 3-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridine?
3-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 178.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 119030370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).