8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one

C23H22N6O2 — CID 50925324

About 8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one

8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one (PubChem CID 50925324) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one
• PubChem CID: 50925324
• Molecular Formula: C23H22N6O2
• Molecular Weight: 414.47 g/mol
• Exact Mass: 414.18
• IUPAC Name: 8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one
• SMILES: O=c1[nH]ccc2cc(Nc3ccccn3)nc(Nc3ccc(N4CCOCC4)cc3)c12
• InChI: InChI=1S/C23H22N6O2/c30-23-21-16(8-10-25-23)15-20(27-19-3-1-2-9-24-19)28-22(21)26-17-4-6-18(7-5-17)29-11-13-31-14-12-29/h1-10,15H,11-14H2,(H,25,30)(H2,24,26,27,28)
• InChIKey: KXZVWZIRFRITPA-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.47
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one?

The IUPAC name of 8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one (CID 50925324) is 8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one.

What is the SMILES notation for 8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one?

The canonical SMILES for 8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one is O=c1[nH]ccc2cc(Nc3ccccn3)nc(Nc3ccc(N4CCOCC4)cc3)c12.

What is the InChIKey of 8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one?

The InChIKey is KXZVWZIRFRITPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c30-23-21-16(8-10-25-23)15-20(27-19-3-1-2-9-24-19)28-22(21)26-17-4-6-18(7-5-17)29-11-13-31-14-12-29/h1-10,15H,11-14H2,(H,25,30)(H2,24,26,27,28).

What are the key properties of 8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one?

8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one has a molecular weight of 414.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 50925324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).