ethane;4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine

C18H26N2O2 — CID 167522777

IUPACethane;4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine
SMILESC#Cc1c(OCCOC)ncc2cncc(C)c12.CC.CC
InChIInChI=1S/C14H14N2O2.2C2H6/c1-4-12-13-10(2)7-15-8-11(13)9-16-14(12)18-6-5-17-3;2*1-2/h1,7-9H,5-6H2,2-3H3;2*1-2H3
InChIKeyWNCHZTRIVXSRIG-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.00
Rot. Bonds4

About ethane;4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine

ethane;4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine (PubChem CID 167522777) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is ethane;4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine.

Molecular Properties

Compound Nameethane;4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine
PubChem CID167522777
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nameethane;4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine
SMILESC#Cc1c(OCCOC)ncc2cncc(C)c12.CC.CC
InChIInChI=1S/C14H14N2O2.2C2H6/c1-4-12-13-10(2)7-15-8-11(13)9-16-14(12)18-6-5-17-3;2*1-2/h1,7-9H,5-6H2,2-3H3;2*1-2H3
InChIKeyWNCHZTRIVXSRIG-UHFFFAOYSA-N
XLogP4.00
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine?
The IUPAC name of ethane;4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine (CID 167522777) is ethane;4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine.
What is the SMILES notation for ethane;4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine?
The canonical SMILES for ethane;4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine is C#Cc1c(OCCOC)ncc2cncc(C)c12.CC.CC.
What is the InChIKey of ethane;4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine?
The InChIKey is WNCHZTRIVXSRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2.2C2H6/c1-4-12-13-10(2)7-15-8-11(13)9-16-14(12)18-6-5-17-3;2*1-2/h1,7-9H,5-6H2,2-3H3;2*1-2H3.
What are the key properties of ethane;4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine?
ethane;4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine has a molecular weight of 302.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine is sourced from PubChem (CID 167522777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).