6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one

C23H20FN5O2 — CID 58093889

IUPAC6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2cc(-c3ccc(F)nc3)nc(Nc3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C23H20FN5O2/c24-20-6-1-16(14-26-20)19-13-15-7-8-25-23(30)21(15)22(28-19)27-17-2-4-18(5-3-17)29-9-11-31-12-10-29/h1-8,13-14H,9-12H2,(H,25,30)(H,27,28)
InChIKeyOZILEJVFRXJBKN-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.70
Rot. Bonds4

About 6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one

6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 58093889) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID58093889
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2cc(-c3ccc(F)nc3)nc(Nc3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C23H20FN5O2/c24-20-6-1-16(14-26-20)19-13-15-7-8-25-23(30)21(15)22(28-19)27-17-2-4-18(5-3-17)29-9-11-31-12-10-29/h1-8,13-14H,9-12H2,(H,25,30)(H,27,28)
InChIKeyOZILEJVFRXJBKN-UHFFFAOYSA-N
XLogP3.70
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (CID 58093889) is 6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is O=c1[nH]ccc2cc(-c3ccc(F)nc3)nc(Nc3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of 6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is OZILEJVFRXJBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c24-20-6-1-16(14-26-20)19-13-15-7-8-25-23(30)21(15)22(28-19)27-17-2-4-18(5-3-17)29-9-11-31-12-10-29/h1-8,13-14H,9-12H2,(H,25,30)(H,27,28).
What are the key properties of 6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 417.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).