ethane;4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine

C14H16N2O — CID 167521508

IUPACethane;4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine
SMILESC#Cc1c(OC)ncc2cncc(C)c12.CC
InChIInChI=1S/C12H10N2O.C2H6/c1-4-10-11-8(2)5-13-6-9(11)7-14-12(10)15-3;1-2/h1,5-7H,2-3H3;1-2H3
InChIKeyOSTOQTSKNQCZLA-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.95
Rot. Bonds1

About ethane;4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine

ethane;4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine (PubChem CID 167521508) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is ethane;4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine.

Molecular Properties

Compound Nameethane;4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine
PubChem CID167521508
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Nameethane;4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine
SMILESC#Cc1c(OC)ncc2cncc(C)c12.CC
InChIInChI=1S/C12H10N2O.C2H6/c1-4-10-11-8(2)5-13-6-9(11)7-14-12(10)15-3;1-2/h1,5-7H,2-3H3;1-2H3
InChIKeyOSTOQTSKNQCZLA-UHFFFAOYSA-N
XLogP2.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine?
The IUPAC name of ethane;4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine (CID 167521508) is ethane;4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine.
What is the SMILES notation for ethane;4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine?
The canonical SMILES for ethane;4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine is C#Cc1c(OC)ncc2cncc(C)c12.CC.
What is the InChIKey of ethane;4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine?
The InChIKey is OSTOQTSKNQCZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O.C2H6/c1-4-10-11-8(2)5-13-6-9(11)7-14-12(10)15-3;1-2/h1,5-7H,2-3H3;1-2H3.
What are the key properties of ethane;4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine?
ethane;4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine has a molecular weight of 228.29 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethynyl-3-methoxy-5-methyl-2,7-naphthyridine is sourced from PubChem (CID 167521508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).