5-(4-nitrophenoxy)-1H-1,8-naphthyridin-2-one

C14H9N3O4 — CID 22936880

IUPAC5-(4-nitrophenoxy)-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2c(Oc3ccc([N+](=O)[O-])cc3)ccnc2[nH]1
InChIInChI=1S/C14H9N3O4/c18-13-6-5-11-12(7-8-15-14(11)16-13)21-10-3-1-9(2-4-10)17(19)20/h1-8H,(H,15,16,18)
InChIKeyJCZPVJXIVVCQIO-UHFFFAOYSA-N
MW283.24 g/mol
LogP2.62
Rot. Bonds3

About 5-(4-nitrophenoxy)-1H-1,8-naphthyridin-2-one

5-(4-nitrophenoxy)-1H-1,8-naphthyridin-2-one (PubChem CID 22936880) has the molecular formula C14H9N3O4 and a molecular weight of 283.24 g/mol. Its IUPAC name is 5-(4-nitrophenoxy)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-(4-nitrophenoxy)-1H-1,8-naphthyridin-2-one
PubChem CID22936880
Molecular FormulaC14H9N3O4
Molecular Weight283.24 g/mol
Exact Mass283.06
IUPAC Name5-(4-nitrophenoxy)-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2c(Oc3ccc([N+](=O)[O-])cc3)ccnc2[nH]1
InChIInChI=1S/C14H9N3O4/c18-13-6-5-11-12(7-8-15-14(11)16-13)21-10-3-1-9(2-4-10)17(19)20/h1-8H,(H,15,16,18)
InChIKeyJCZPVJXIVVCQIO-UHFFFAOYSA-N
XLogP2.62
TPSA98.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenoxy)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-(4-nitrophenoxy)-1H-1,8-naphthyridin-2-one (CID 22936880) is 5-(4-nitrophenoxy)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-(4-nitrophenoxy)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-(4-nitrophenoxy)-1H-1,8-naphthyridin-2-one is O=c1ccc2c(Oc3ccc([N+](=O)[O-])cc3)ccnc2[nH]1.
What is the InChIKey of 5-(4-nitrophenoxy)-1H-1,8-naphthyridin-2-one?
The InChIKey is JCZPVJXIVVCQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O4/c18-13-6-5-11-12(7-8-15-14(11)16-13)21-10-3-1-9(2-4-10)17(19)20/h1-8H,(H,15,16,18).
What are the key properties of 5-(4-nitrophenoxy)-1H-1,8-naphthyridin-2-one?
5-(4-nitrophenoxy)-1H-1,8-naphthyridin-2-one has a molecular weight of 283.24 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenoxy)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 22936880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).