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

C24H23N5O2 — CID 58094050

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

6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 58094050) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
• PubChem CID: 58094050
• Molecular Formula: C24H23N5O2
• Molecular Weight: 413.48 g/mol
• Exact Mass: 413.19
• IUPAC Name: 6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
• SMILES: Cc1ccncc1-c1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCOCC3)cc2)n1
• InChI: InChI=1S/C24H23N5O2/c1-16-6-8-25-15-20(16)21-14-17-7-9-26-24(30)22(17)23(28-21)27-18-2-4-19(5-3-18)29-10-12-31-13-11-29/h2-9,14-15H,10-13H2,1H3,(H,26,30)(H,27,28)
• InChIKey: ZXALMPYTISRUAR-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.48
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?

The IUPAC name of 6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (CID 58094050) is 6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.

What is the SMILES notation for 6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?

The canonical SMILES for 6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is Cc1ccncc1-c1cc2cc[nH]c(=O)c2c(Nc2ccc(N3CCOCC3)cc2)n1.

What is the InChIKey of 6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?

The InChIKey is ZXALMPYTISRUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-16-6-8-25-15-20(16)21-14-17-7-9-26-24(30)22(17)23(28-21)27-18-2-4-19(5-3-18)29-10-12-31-13-11-29/h2-9,14-15H,10-13H2,1H3,(H,26,30)(H,27,28).

What are the key properties of 6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?

6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 413.48 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).