1-(6-azidohexyl)-7-methoxy-1,5-naphthyridin-2-one

C15H19N5O2 — CID 122437083

IUPAC1-(6-azidohexyl)-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCCCCCN=[N+]=[N-])c2c1
InChIInChI=1S/C15H19N5O2/c1-22-12-10-14-13(17-11-12)6-7-15(21)20(14)9-5-3-2-4-8-18-19-16/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyHZRCCTOOOLKREH-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.28
Rot. Bonds8

About 1-(6-azidohexyl)-7-methoxy-1,5-naphthyridin-2-one

1-(6-azidohexyl)-7-methoxy-1,5-naphthyridin-2-one (PubChem CID 122437083) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(6-azidohexyl)-7-methoxy-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-(6-azidohexyl)-7-methoxy-1,5-naphthyridin-2-one
PubChem CID122437083
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-(6-azidohexyl)-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCCCCCN=[N+]=[N-])c2c1
InChIInChI=1S/C15H19N5O2/c1-22-12-10-14-13(17-11-12)6-7-15(21)20(14)9-5-3-2-4-8-18-19-16/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyHZRCCTOOOLKREH-UHFFFAOYSA-N
XLogP3.28
TPSA92.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 1-(6-azidohexyl)-7-methoxy-1,5-naphthyridin-2-one?
The IUPAC name of 1-(6-azidohexyl)-7-methoxy-1,5-naphthyridin-2-one (CID 122437083) is 1-(6-azidohexyl)-7-methoxy-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-(6-azidohexyl)-7-methoxy-1,5-naphthyridin-2-one?
The canonical SMILES for 1-(6-azidohexyl)-7-methoxy-1,5-naphthyridin-2-one is COc1cnc2ccc(=O)n(CCCCCCN=[N+]=[N-])c2c1.
What is the InChIKey of 1-(6-azidohexyl)-7-methoxy-1,5-naphthyridin-2-one?
The InChIKey is HZRCCTOOOLKREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-22-12-10-14-13(17-11-12)6-7-15(21)20(14)9-5-3-2-4-8-18-19-16/h6-7,10-11H,2-5,8-9H2,1H3.
What are the key properties of 1-(6-azidohexyl)-7-methoxy-1,5-naphthyridin-2-one?
1-(6-azidohexyl)-7-methoxy-1,5-naphthyridin-2-one has a molecular weight of 301.35 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azidohexyl)-7-methoxy-1,5-naphthyridin-2-one is sourced from PubChem (CID 122437083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).