2-(azidomethyl)-1-methoxyphenanthridine

C15H12N4O — CID 150621389

IUPAC2-(azidomethyl)-1-methoxyphenanthridine
SMILESCOc1c(CN=[N+]=[N-])ccc2ncc3ccccc3c12
InChIInChI=1S/C15H12N4O/c1-20-15-11(9-18-19-16)6-7-13-14(15)12-5-3-2-4-10(12)8-17-13/h2-8H,9H2,1H3
InChIKeyIVZFVBMWLUUMCE-UHFFFAOYSA-N
MW264.29 g/mol
LogP4.21
Rot. Bonds3

About 2-(azidomethyl)-1-methoxyphenanthridine

2-(azidomethyl)-1-methoxyphenanthridine (PubChem CID 150621389) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-(azidomethyl)-1-methoxyphenanthridine.

Molecular Properties

Compound Name2-(azidomethyl)-1-methoxyphenanthridine
PubChem CID150621389
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name2-(azidomethyl)-1-methoxyphenanthridine
SMILESCOc1c(CN=[N+]=[N-])ccc2ncc3ccccc3c12
InChIInChI=1S/C15H12N4O/c1-20-15-11(9-18-19-16)6-7-13-14(15)12-5-3-2-4-10(12)8-17-13/h2-8H,9H2,1H3
InChIKeyIVZFVBMWLUUMCE-UHFFFAOYSA-N
XLogP4.21
TPSA70.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'Polycyclic_aromatic_hydrocarbon_3', '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-(azidomethyl)-1-methoxyphenanthridine?
The IUPAC name of 2-(azidomethyl)-1-methoxyphenanthridine (CID 150621389) is 2-(azidomethyl)-1-methoxyphenanthridine.
What is the SMILES notation for 2-(azidomethyl)-1-methoxyphenanthridine?
The canonical SMILES for 2-(azidomethyl)-1-methoxyphenanthridine is COc1c(CN=[N+]=[N-])ccc2ncc3ccccc3c12.
What is the InChIKey of 2-(azidomethyl)-1-methoxyphenanthridine?
The InChIKey is IVZFVBMWLUUMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-20-15-11(9-18-19-16)6-7-13-14(15)12-5-3-2-4-10(12)8-17-13/h2-8H,9H2,1H3.
What are the key properties of 2-(azidomethyl)-1-methoxyphenanthridine?
2-(azidomethyl)-1-methoxyphenanthridine has a molecular weight of 264.29 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-1-methoxyphenanthridine is sourced from PubChem (CID 150621389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).