2-(1-azidopentyl)-1,4,5,8-tetramethoxynaphthalene

C19H25N3O4 — CID 142629366

IUPAC2-(1-azidopentyl)-1,4,5,8-tetramethoxynaphthalene
SMILESCCCCC(N=[N+]=[N-])c1cc(OC)c2c(OC)ccc(OC)c2c1OC
InChIInChI=1S/C19H25N3O4/c1-6-7-8-13(21-22-20)12-11-16(25-4)17-14(23-2)9-10-15(24-3)18(17)19(12)26-5/h9-11,13H,6-8H2,1-5H3
InChIKeyJDTUWJFUFGTGEB-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.42
Rot. Bonds9

About 2-(1-azidopentyl)-1,4,5,8-tetramethoxynaphthalene

2-(1-azidopentyl)-1,4,5,8-tetramethoxynaphthalene (PubChem CID 142629366) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(1-azidopentyl)-1,4,5,8-tetramethoxynaphthalene.

Molecular Properties

Compound Name2-(1-azidopentyl)-1,4,5,8-tetramethoxynaphthalene
PubChem CID142629366
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-(1-azidopentyl)-1,4,5,8-tetramethoxynaphthalene
SMILESCCCCC(N=[N+]=[N-])c1cc(OC)c2c(OC)ccc(OC)c2c1OC
InChIInChI=1S/C19H25N3O4/c1-6-7-8-13(21-22-20)12-11-16(25-4)17-14(23-2)9-10-15(24-3)18(17)19(12)26-5/h9-11,13H,6-8H2,1-5H3
InChIKeyJDTUWJFUFGTGEB-UHFFFAOYSA-N
XLogP5.42
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azidopentyl)-1,4,5,8-tetramethoxynaphthalene?
The IUPAC name of 2-(1-azidopentyl)-1,4,5,8-tetramethoxynaphthalene (CID 142629366) is 2-(1-azidopentyl)-1,4,5,8-tetramethoxynaphthalene.
What is the SMILES notation for 2-(1-azidopentyl)-1,4,5,8-tetramethoxynaphthalene?
The canonical SMILES for 2-(1-azidopentyl)-1,4,5,8-tetramethoxynaphthalene is CCCCC(N=[N+]=[N-])c1cc(OC)c2c(OC)ccc(OC)c2c1OC.
What is the InChIKey of 2-(1-azidopentyl)-1,4,5,8-tetramethoxynaphthalene?
The InChIKey is JDTUWJFUFGTGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-6-7-8-13(21-22-20)12-11-16(25-4)17-14(23-2)9-10-15(24-3)18(17)19(12)26-5/h9-11,13H,6-8H2,1-5H3.
What are the key properties of 2-(1-azidopentyl)-1,4,5,8-tetramethoxynaphthalene?
2-(1-azidopentyl)-1,4,5,8-tetramethoxynaphthalene has a molecular weight of 359.43 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azidopentyl)-1,4,5,8-tetramethoxynaphthalene is sourced from PubChem (CID 142629366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).