[5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol

C29H42FNO2Si — CID 22481032

IUPAC[5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol
SMILESCC1(C)Cc2nc(C3CCCC3)c(CO)c(-c3ccc(F)cc3)c2C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C29H42FNO2Si/c1-28(2,3)34(6,7)33-24-17-29(4,5)16-23-26(24)25(19-12-14-21(30)15-13-19)22(18-32)27(31-23)20-10-8-9-11-20/h12-15,20,24,32H,8-11,16-18H2,1-7H3
InChIKeyJPBIQBSYGSMCSL-UHFFFAOYSA-N
MW483.74 g/mol
LogP8.07
Rot. Bonds5

About [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol

[5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol (PubChem CID 22481032) has the molecular formula C29H42FNO2Si and a molecular weight of 483.74 g/mol. Its IUPAC name is [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol.

Molecular Properties

Compound Name[5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol
PubChem CID22481032
Molecular FormulaC29H42FNO2Si
Molecular Weight483.74 g/mol
Exact Mass483.30
IUPAC Name[5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol
SMILESCC1(C)Cc2nc(C3CCCC3)c(CO)c(-c3ccc(F)cc3)c2C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C29H42FNO2Si/c1-28(2,3)34(6,7)33-24-17-29(4,5)16-23-26(24)25(19-12-14-21(30)15-13-19)22(18-32)27(31-23)20-10-8-9-11-20/h12-15,20,24,32H,8-11,16-18H2,1-7H3
InChIKeyJPBIQBSYGSMCSL-UHFFFAOYSA-N
XLogP8.07
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.74
LogP ≤ 58.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol?
The IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol (CID 22481032) is [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol.
What is the SMILES notation for [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol?
The canonical SMILES for [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol is CC1(C)Cc2nc(C3CCCC3)c(CO)c(-c3ccc(F)cc3)c2C(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol?
The InChIKey is JPBIQBSYGSMCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42FNO2Si/c1-28(2,3)34(6,7)33-24-17-29(4,5)16-23-26(24)25(19-12-14-21(30)15-13-19)22(18-32)27(31-23)20-10-8-9-11-20/h12-15,20,24,32H,8-11,16-18H2,1-7H3.
What are the key properties of [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol?
[5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol has a molecular weight of 483.74 g/mol, XLogP of 8.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]methanol is sourced from PubChem (CID 22481032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).