1-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydroquinolin-2-one

C25H32FNO4Si — CID 23759529

About 1-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydroquinolin-2-one

1-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydroquinolin-2-one (PubChem CID 23759529) has the molecular formula C25H32FNO4Si and a molecular weight of 457.62 g/mol. Its IUPAC name is 1-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

• Compound Name: 1-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydroquinolin-2-one
• PubChem CID: 23759529
• Molecular Formula: C25H32FNO4Si
• Molecular Weight: 457.62 g/mol
• Exact Mass: 457.21
• IUPAC Name: 1-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydroquinolin-2-one
• SMILES: CO[C@@H]1c2cc(N3C(=O)CCc4ccccc43)ccc2O[C@H](C(CCO)[Si](C)(C)F)[C@H]1C
• InChI: InChI=1S/C25H32FNO4Si/c1-16-24(30-2)19-15-18(27-20-8-6-5-7-17(20)9-12-23(27)29)10-11-21(19)31-25(16)22(13-14-28)32(3,4)26/h5-8,10-11,15-16,22,24-25,28H,9,12-14H2,1-4H3/t16-,22?,24-,25-/m0/s1
• InChIKey: YWJPHMRYGHVALH-DXHNUBMWSA-N
• XLogP: 5.31
• TPSA: 59.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.62
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydroquinolin-2-one?

The IUPAC name of 1-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydroquinolin-2-one (CID 23759529) is 1-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydroquinolin-2-one.

What is the SMILES notation for 1-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydroquinolin-2-one?

The canonical SMILES for 1-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydroquinolin-2-one is CO[C@@H]1c2cc(N3C(=O)CCc4ccccc43)ccc2O[C@H](C(CCO)[Si](C)(C)F)[C@H]1C.

What is the InChIKey of 1-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydroquinolin-2-one?

The InChIKey is YWJPHMRYGHVALH-DXHNUBMWSA-N. The full InChI is InChI=1S/C25H32FNO4Si/c1-16-24(30-2)19-15-18(27-20-8-6-5-7-17(20)9-12-23(27)29)10-11-21(19)31-25(16)22(13-14-28)32(3,4)26/h5-8,10-11,15-16,22,24-25,28H,9,12-14H2,1-4H3/t16-,22?,24-,25-/m0/s1.

What are the key properties of 1-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydroquinolin-2-one?

1-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 457.62 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 23759529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).