1-cyclohexyl-3-fluoro-7-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one

C32H42FN5O2 — CID 22124588

About 1-cyclohexyl-3-fluoro-7-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one

1-cyclohexyl-3-fluoro-7-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one (PubChem CID 22124588) has the molecular formula C32H42FN5O2 and a molecular weight of 547.72 g/mol. Its IUPAC name is 1-cyclohexyl-3-fluoro-7-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one.

Molecular Properties

• Compound Name: 1-cyclohexyl-3-fluoro-7-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one
• PubChem CID: 22124588
• Molecular Formula: C32H42FN5O2
• Molecular Weight: 547.72 g/mol
• Exact Mass: 547.33
• IUPAC Name: 1-cyclohexyl-3-fluoro-7-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one
• SMILES: O=c1c(F)cc2cnc(Nc3ccc(N4CCC(CCCN5CCOCC5)CC4)cc3)cc2n1C1CCCCC1
• InChI: InChI=1S/C32H42FN5O2/c33-29-21-25-23-34-31(22-30(25)38(32(29)39)28-6-2-1-3-7-28)35-26-8-10-27(11-9-26)37-15-12-24(13-16-37)5-4-14-36-17-19-40-20-18-36/h8-11,21-24,28H,1-7,12-20H2,(H,34,35)
• InChIKey: WDLDLFFBFAHYBO-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 62.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.72
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
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 1-cyclohexyl-3-fluoro-7-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one?

The IUPAC name of 1-cyclohexyl-3-fluoro-7-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one (CID 22124588) is 1-cyclohexyl-3-fluoro-7-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one.

What is the SMILES notation for 1-cyclohexyl-3-fluoro-7-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one?

The canonical SMILES for 1-cyclohexyl-3-fluoro-7-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one is O=c1c(F)cc2cnc(Nc3ccc(N4CCC(CCCN5CCOCC5)CC4)cc3)cc2n1C1CCCCC1.

What is the InChIKey of 1-cyclohexyl-3-fluoro-7-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one?

The InChIKey is WDLDLFFBFAHYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42FN5O2/c33-29-21-25-23-34-31(22-30(25)38(32(29)39)28-6-2-1-3-7-28)35-26-8-10-27(11-9-26)37-15-12-24(13-16-37)5-4-14-36-17-19-40-20-18-36/h8-11,21-24,28H,1-7,12-20H2,(H,34,35).

What are the key properties of 1-cyclohexyl-3-fluoro-7-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one?

1-cyclohexyl-3-fluoro-7-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one has a molecular weight of 547.72 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-3-fluoro-7-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 22124588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).