[5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanol

C32H45F3N2O2Si — CID 77227734

About [5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanol

[5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 77227734) has the molecular formula C32H45F3N2O2Si and a molecular weight of 574.80 g/mol. Its IUPAC name is [5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

• Compound Name: [5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanol
• PubChem CID: 77227734
• Molecular Formula: C32H45F3N2O2Si
• Molecular Weight: 574.80 g/mol
• Exact Mass: 574.32
• IUPAC Name: [5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanol
• SMILES: CC(C)c1nc2c(c(C3=CCCC3)c1C(O)c1ccc(C(F)(F)F)cn1)C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2
• InChI: InChI=1S/C32H45F3N2O2Si/c1-19(2)28-27(29(38)22-15-14-21(18-36-22)32(33,34)35)25(20-12-10-11-13-20)26-23(37-28)16-31(6,7)17-24(26)39-40(8,9)30(3,4)5/h12,14-15,18-19,24,29,38H,10-11,13,16-17H2,1-9H3
• InChIKey: BSBUMPJCBXLXME-UHFFFAOYSA-N
• XLogP: 9.30
• TPSA: 55.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.80
LogP ≤ 5	9.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanol?

The IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanol (CID 77227734) is [5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanol.

What is the SMILES notation for [5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanol?

The canonical SMILES for [5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanol is CC(C)c1nc2c(c(C3=CCCC3)c1C(O)c1ccc(C(F)(F)F)cn1)C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2.

What is the InChIKey of [5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanol?

The InChIKey is BSBUMPJCBXLXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45F3N2O2Si/c1-19(2)28-27(29(38)22-15-14-21(18-36-22)32(33,34)35)25(20-12-10-11-13-20)26-23(37-28)16-31(6,7)17-24(26)39-40(8,9)30(3,4)5/h12,14-15,18-19,24,29,38H,10-11,13,16-17H2,1-9H3.

What are the key properties of [5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanol?

[5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 574.80 g/mol, XLogP of 9.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 77227734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).