1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-cyclopentylethylamino)ethanol

C20H22F6N2O — CID 155540622

IUPAC1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-cyclopentylethylamino)ethanol
SMILESOC(CNCCC1CCCC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C20H22F6N2O/c21-19(22,23)15-7-3-6-13-14(10-17(20(24,25)26)28-18(13)15)16(29)11-27-9-8-12-4-1-2-5-12/h3,6-7,10,12,16,27,29H,1-2,4-5,8-9,11H2
InChIKeyHPSCNQRWPLUVKL-UHFFFAOYSA-N
MW420.40 g/mol
LogP5.48
Rot. Bonds6

About 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-cyclopentylethylamino)ethanol

1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-cyclopentylethylamino)ethanol (PubChem CID 155540622) has the molecular formula C20H22F6N2O and a molecular weight of 420.40 g/mol. Its IUPAC name is 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-cyclopentylethylamino)ethanol.

Molecular Properties

Compound Name1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-cyclopentylethylamino)ethanol
PubChem CID155540622
Molecular FormulaC20H22F6N2O
Molecular Weight420.40 g/mol
Exact Mass420.16
IUPAC Name1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-cyclopentylethylamino)ethanol
SMILESOC(CNCCC1CCCC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C20H22F6N2O/c21-19(22,23)15-7-3-6-13-14(10-17(20(24,25)26)28-18(13)15)16(29)11-27-9-8-12-4-1-2-5-12/h3,6-7,10,12,16,27,29H,1-2,4-5,8-9,11H2
InChIKeyHPSCNQRWPLUVKL-UHFFFAOYSA-N
XLogP5.48
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.40
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-cyclopentylethylamino)ethanol?
The IUPAC name of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-cyclopentylethylamino)ethanol (CID 155540622) is 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-cyclopentylethylamino)ethanol.
What is the SMILES notation for 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-cyclopentylethylamino)ethanol?
The canonical SMILES for 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-cyclopentylethylamino)ethanol is OC(CNCCC1CCCC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-cyclopentylethylamino)ethanol?
The InChIKey is HPSCNQRWPLUVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F6N2O/c21-19(22,23)15-7-3-6-13-14(10-17(20(24,25)26)28-18(13)15)16(29)11-27-9-8-12-4-1-2-5-12/h3,6-7,10,12,16,27,29H,1-2,4-5,8-9,11H2.
What are the key properties of 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-cyclopentylethylamino)ethanol?
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-cyclopentylethylamino)ethanol has a molecular weight of 420.40 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-(2-cyclopentylethylamino)ethanol is sourced from PubChem (CID 155540622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).