6-(4-fluorophenyl)-4-hydroxy-1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide

C28H31FN4O4 — CID 167499609

About 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide

6-(4-fluorophenyl)-4-hydroxy-1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 167499609) has the molecular formula C28H31FN4O4 and a molecular weight of 506.58 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide
• PubChem CID: 167499609
• Molecular Formula: C28H31FN4O4
• Molecular Weight: 506.58 g/mol
• Exact Mass: 506.23
• IUPAC Name: 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide
• SMILES: C[C@@H]1CN(CCn2c(=O)c(C(=O)NC3CC4(CC4)C3)c(O)c3cc(-c4ccc(F)cc4)cnc32)CCO1
• InChI: InChI=1S/C28H31FN4O4/c1-17-16-32(10-11-37-17)8-9-33-25-22(12-19(15-30-25)18-2-4-20(29)5-3-18)24(34)23(27(33)36)26(35)31-21-13-28(14-21)6-7-28/h2-5,12,15,17,21,34H,6-11,13-14,16H2,1H3,(H,31,35)/t17-/m1/s1
• InChIKey: IEBSGDMDLNOVHB-QGZVFWFLSA-N
• XLogP: 3.30
• TPSA: 96.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.58
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide (CID 167499609) is 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide is C[C@@H]1CN(CCn2c(=O)c(C(=O)NC3CC4(CC4)C3)c(O)c3cc(-c4ccc(F)cc4)cnc32)CCO1.

What is the InChIKey of 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide?

The InChIKey is IEBSGDMDLNOVHB-QGZVFWFLSA-N. The full InChI is InChI=1S/C28H31FN4O4/c1-17-16-32(10-11-37-17)8-9-33-25-22(12-19(15-30-25)18-2-4-20(29)5-3-18)24(34)23(27(33)36)26(35)31-21-13-28(14-21)6-7-28/h2-5,12,15,17,21,34H,6-11,13-14,16H2,1H3,(H,31,35)/t17-/m1/s1.

What are the key properties of 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide?

6-(4-fluorophenyl)-4-hydroxy-1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 506.58 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-fluorophenyl)-4-hydroxy-1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 167499609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).