9-fluoro-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one

C18H13FN4O — CID 25096277

IUPAC9-fluoro-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one
SMILESO=c1[nH]ccc2nc(NCc3ccccn3)c3ccc(F)cc3c12
InChIInChI=1S/C18H13FN4O/c19-11-4-5-13-14(9-11)16-15(6-8-21-18(16)24)23-17(13)22-10-12-3-1-2-7-20-12/h1-9H,10H2,(H,21,24)(H,22,23)
InChIKeyNKVMMNLSDVEDCO-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.22
Rot. Bonds3

About 9-fluoro-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one

9-fluoro-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one (PubChem CID 25096277) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 9-fluoro-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name9-fluoro-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one
PubChem CID25096277
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name9-fluoro-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one
SMILESO=c1[nH]ccc2nc(NCc3ccccn3)c3ccc(F)cc3c12
InChIInChI=1S/C18H13FN4O/c19-11-4-5-13-14(9-11)16-15(6-8-21-18(16)24)23-17(13)22-10-12-3-1-2-7-20-12/h1-9H,10H2,(H,21,24)(H,22,23)
InChIKeyNKVMMNLSDVEDCO-UHFFFAOYSA-N
XLogP3.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one?
The IUPAC name of 9-fluoro-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one (CID 25096277) is 9-fluoro-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one.
What is the SMILES notation for 9-fluoro-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one?
The canonical SMILES for 9-fluoro-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one is O=c1[nH]ccc2nc(NCc3ccccn3)c3ccc(F)cc3c12.
What is the InChIKey of 9-fluoro-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one?
The InChIKey is NKVMMNLSDVEDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c19-11-4-5-13-14(9-11)16-15(6-8-21-18(16)24)23-17(13)22-10-12-3-1-2-7-20-12/h1-9H,10H2,(H,21,24)(H,22,23).
What are the key properties of 9-fluoro-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one?
9-fluoro-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one has a molecular weight of 320.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-6-(pyridin-2-ylmethylamino)-2H-benzo[c][1,6]naphthyridin-1-one is sourced from PubChem (CID 25096277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).