RQLBYRLLVQBUME-UHFFFAOYSA-N

C₃₇H₄₆F₅NOSi — CID 151760406

About RQLBYRLLVQBUME-UHFFFAOYSA-N

RQLBYRLLVQBUME-UHFFFAOYSA-N (PubChem CID 151760406) has the molecular formula C₃₇H₄₆F₅NOSi and a molecular weight of 643.86 g/mol. Its IUPAC name is [2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy-(2,2-dimethylpropyl)-dimethylsilane.

Molecular Properties

• Compound Name: RQLBYRLLVQBUME-UHFFFAOYSA-N
• PubChem CID: 151760406
• Molecular Formula: C₃₇H₄₆F₅NOSi
• Molecular Weight: 643.86 g/mol
• Exact Mass: 643.33
• IUPAC Name: [2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy-(2,2-dimethylpropyl)-dimethylsilane
• SMILES: CC(C)(C)C[Si](C)(C)OC1CC(C)(C)Cc2nc(C3CCCC3)c(C(F)c3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c21
• InChI: InChI=1S/C37H46F5NOSi/c1-35(2,3)22-45(6,7)44-29-21-36(4,5)20-28-31(29)30(23-14-18-27(38)19-15-23)32(34(43-28)25-10-8-9-11-25)33(39)24-12-16-26(17-13-24)37(40,41)42/h12-19,25,29,33H,8-11,20-22H2,1-7H3
• InChIKey: RQLBYRLLVQBUME-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 22.12 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.86
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of RQLBYRLLVQBUME-UHFFFAOYSA-N?

The IUPAC name of RQLBYRLLVQBUME-UHFFFAOYSA-N (CID 151760406) is [2-cyclopentyl-4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-yl]oxy-(2,2-dimethylpropyl)-dimethylsilane.

What is the SMILES notation for RQLBYRLLVQBUME-UHFFFAOYSA-N?

The canonical SMILES for RQLBYRLLVQBUME-UHFFFAOYSA-N is CC(C)(C)C[Si](C)(C)OC1CC(C)(C)Cc2nc(C3CCCC3)c(C(F)c3ccc(C(F)(F)F)cc3)c(-c3ccc(F)cc3)c21.

What is the InChIKey of RQLBYRLLVQBUME-UHFFFAOYSA-N?

The InChIKey is RQLBYRLLVQBUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46F5NOSi/c1-35(2,3)22-45(6,7)44-29-21-36(4,5)20-28-31(29)30(23-14-18-27(38)19-15-23)32(34(43-28)25-10-8-9-11-25)33(39)24-12-16-26(17-13-24)37(40,41)42/h12-19,25,29,33H,8-11,20-22H2,1-7H3.

What are the key properties of RQLBYRLLVQBUME-UHFFFAOYSA-N?

RQLBYRLLVQBUME-UHFFFAOYSA-N has a molecular weight of 643.86 g/mol, XLogP of 11.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for RQLBYRLLVQBUME-UHFFFAOYSA-N is sourced from PubChem (CID 151760406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151760406 — identifiers, structure, computed properties (public domain)

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