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

C14H14N2O2 — CID 167522778

IUPAC4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine
SMILESC#Cc1c(OCCOC)ncc2cncc(C)c12
InChIInChI=1S/C14H14N2O2/c1-4-12-13-10(2)7-15-8-11(13)9-16-14(12)18-6-5-17-3/h1,7-9H,5-6H2,2-3H3
InChIKeyDTEUUYITJWPFMW-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.94
Rot. Bonds4

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

4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine (PubChem CID 167522778) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine.

Molecular Properties

Compound Name4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine
PubChem CID167522778
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine
SMILESC#Cc1c(OCCOC)ncc2cncc(C)c12
InChIInChI=1S/C14H14N2O2/c1-4-12-13-10(2)7-15-8-11(13)9-16-14(12)18-6-5-17-3/h1,7-9H,5-6H2,2-3H3
InChIKeyDTEUUYITJWPFMW-UHFFFAOYSA-N
XLogP1.94
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.94
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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Related Compounds

3-Methoxy-2,7-naphthyridine
CID 59164398
1-[(2-Methylpropan-2-yl)oxy]-2,6-naphthyridine
CID 59344646
1-[(2-Methylpropan-2-yl)oxy]-2,7-naphthyridine
CID 59344648
1-Ethoxy-2,7-naphthyridine
CID 67567793
1-Ethoxy-2,6-naphthyridine
CID 67567795
1-(2-Methoxyethoxy)-2,6-naphthyridine
CID 68032469
2-(2,6-Naphthyridin-1-yloxy)ethanol
CID 68032483
2-Ethoxy-3-ethynyl-5-methylpyridine
CID 74889629
CID 89343418
CID 89343418
1-Methoxy-2,7-naphthyridine
CID 117678403
4-[2-[(4-Methyl-2,7-naphthyridin-1-yl)oxy]ethyl]morpholine
CID 123982124
2-(2,6-Naphthyridin-1-yloxy)ethyl hypoiodite
CID 143505184

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine?
The IUPAC name of 4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine (CID 167522778) is 4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine.
What is the SMILES notation for 4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine?
The canonical SMILES for 4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine is C#Cc1c(OCCOC)ncc2cncc(C)c12.
What is the InChIKey of 4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine?
The InChIKey is DTEUUYITJWPFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-4-12-13-10(2)7-15-8-11(13)9-16-14(12)18-6-5-17-3/h1,7-9H,5-6H2,2-3H3.
What are the key properties of 4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine?
4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine has a molecular weight of 242.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-3-(2-methoxyethoxy)-5-methyl-2,7-naphthyridine is sourced from PubChem (CID 167522778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).