4-cyclopentyl-3-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-2-prop-1-en-2-yl-6,8-dihydro-5H-quinolin-5-ol;2-methylbutane

C32H44F3NO2 — CID 143858516

About 4-cyclopentyl-3-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-2-prop-1-en-2-yl-6,8-dihydro-5H-quinolin-5-ol;2-methylbutane

4-cyclopentyl-3-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-2-prop-1-en-2-yl-6,8-dihydro-5H-quinolin-5-ol;2-methylbutane (PubChem CID 143858516) has the molecular formula C32H44F3NO2 and a molecular weight of 531.70 g/mol. Its IUPAC name is 4-cyclopentyl-3-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-2-prop-1-en-2-yl-6,8-dihydro-5H-quinolin-5-ol;2-methylbutane.

Molecular Properties

• Compound Name: 4-cyclopentyl-3-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-2-prop-1-en-2-yl-6,8-dihydro-5H-quinolin-5-ol;2-methylbutane
• PubChem CID: 143858516
• Molecular Formula: C32H44F3NO2
• Molecular Weight: 531.70 g/mol
• Exact Mass: 531.33
• IUPAC Name: 4-cyclopentyl-3-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-2-prop-1-en-2-yl-6,8-dihydro-5H-quinolin-5-ol;2-methylbutane
• SMILES: C=C(C)c1nc2c(c(C3CCCC3)c1C(O)c1ccc(C(F)(F)F)cc1)C(O)CC(C)(C)C2.CCC(C)C
• InChI: InChI=1S/C27H32F3NO2.C5H12/c1-15(2)24-23(25(33)17-9-11-18(12-10-17)27(28,29)30)21(16-7-5-6-8-16)22-19(31-24)13-26(3,4)14-20(22)32;1-4-5(2)3/h9-12,16,20,25,32-33H,1,5-8,13-14H2,2-4H3;5H,4H2,1-3H3
• InChIKey: PQLPDZRUDFZXGX-UHFFFAOYSA-N
• XLogP: 8.93
• TPSA: 53.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.70
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-2-prop-1-en-2-yl-6,8-dihydro-5H-quinolin-5-ol;2-methylbutane?

The IUPAC name of 4-cyclopentyl-3-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-2-prop-1-en-2-yl-6,8-dihydro-5H-quinolin-5-ol;2-methylbutane (CID 143858516) is 4-cyclopentyl-3-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-2-prop-1-en-2-yl-6,8-dihydro-5H-quinolin-5-ol;2-methylbutane.

What is the SMILES notation for 4-cyclopentyl-3-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-2-prop-1-en-2-yl-6,8-dihydro-5H-quinolin-5-ol;2-methylbutane?

The canonical SMILES for 4-cyclopentyl-3-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-2-prop-1-en-2-yl-6,8-dihydro-5H-quinolin-5-ol;2-methylbutane is C=C(C)c1nc2c(c(C3CCCC3)c1C(O)c1ccc(C(F)(F)F)cc1)C(O)CC(C)(C)C2.CCC(C)C.

What is the InChIKey of 4-cyclopentyl-3-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-2-prop-1-en-2-yl-6,8-dihydro-5H-quinolin-5-ol;2-methylbutane?

The InChIKey is PQLPDZRUDFZXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3NO2.C5H12/c1-15(2)24-23(25(33)17-9-11-18(12-10-17)27(28,29)30)21(16-7-5-6-8-16)22-19(31-24)13-26(3,4)14-20(22)32;1-4-5(2)3/h9-12,16,20,25,32-33H,1,5-8,13-14H2,2-4H3;5H,4H2,1-3H3.

What are the key properties of 4-cyclopentyl-3-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-2-prop-1-en-2-yl-6,8-dihydro-5H-quinolin-5-ol;2-methylbutane?

4-cyclopentyl-3-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-2-prop-1-en-2-yl-6,8-dihydro-5H-quinolin-5-ol;2-methylbutane has a molecular weight of 531.70 g/mol, XLogP of 8.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopentyl-3-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-2-prop-1-en-2-yl-6,8-dihydro-5H-quinolin-5-ol;2-methylbutane is sourced from PubChem (CID 143858516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).