2-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]ethanol

C24H23F3N2O — CID 144894096

IUPAC2-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]ethanol
SMILESOCCc1cccc(-c2ccc3c(c2)CCCN3Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C24H23F3N2O/c25-24(26,27)20-9-6-17(7-10-20)16-29-13-2-3-19-15-18(8-11-23(19)29)22-5-1-4-21(28-22)12-14-30/h1,4-11,15,30H,2-3,12-14,16H2
InChIKeyOLNJSUKKUZDGPA-UHFFFAOYSA-N
MW412.46 g/mol
LogP5.26
Rot. Bonds5

About 2-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]ethanol

2-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]ethanol (PubChem CID 144894096) has the molecular formula C24H23F3N2O and a molecular weight of 412.46 g/mol. Its IUPAC name is 2-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]ethanol
PubChem CID144894096
Molecular FormulaC24H23F3N2O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name2-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]ethanol
SMILESOCCc1cccc(-c2ccc3c(c2)CCCN3Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C24H23F3N2O/c25-24(26,27)20-9-6-17(7-10-20)16-29-13-2-3-19-15-18(8-11-23(19)29)22-5-1-4-21(28-22)12-14-30/h1,4-11,15,30H,2-3,12-14,16H2
InChIKeyOLNJSUKKUZDGPA-UHFFFAOYSA-N
XLogP5.26
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]ethanol with MolForge

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Related Compounds

{4-(3-Fluorobenzyl)-1-[(8-fluoroquinolin-2-yl)methyl]piperidin-4-yl}methanol
CID 16192238
2-[4-[(8-Fluoro-2-quinolinyl)methyl]-1-(4-methylbenzyl)-2-piperazinyl]ethanol
CID 23723537
2-{1-Benzyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl}ethanol
CID 23723820
1-[2,8-Bis(trifluoromethyl)-4-quinolyl]-3-(dibutylamino)propan-1-ol
CID 432280
(S)-[(2S)-1-benzyl-2-piperidyl]-[2,8-bis(trifluoromethyl)-4-quinolyl]methanol
CID 16728112
(S)-[(2S)-1-allyl-2-piperidyl]-[2,8-bis(trifluoromethyl)-4-quinolyl]methanol
CID 16728113
3-(4-{[7-Methyl-2-(3-methylphenyl)-3-quinolinyl]methyl}-1-piperazinyl)-1-propanol
CID 70762258
1-[2-(4-Methylphenyl)-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol
CID 90669042
1-[2-Phenyl-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol
CID 90669054
1-[2,6-Bis(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol
CID 90669099
1-[2,6-Bis(trifluoromethyl)quinolin-4-yl]-3-(dibutylamino)propan-1-ol
CID 90669106
1-[6-Methyl-2-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol
CID 90669110

Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]ethanol?
The IUPAC name of 2-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]ethanol (CID 144894096) is 2-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]ethanol.
What is the SMILES notation for 2-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]ethanol?
The canonical SMILES for 2-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]ethanol is OCCc1cccc(-c2ccc3c(c2)CCCN3Cc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]ethanol?
The InChIKey is OLNJSUKKUZDGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O/c25-24(26,27)20-9-6-17(7-10-20)16-29-13-2-3-19-15-18(8-11-23(19)29)22-5-1-4-21(28-22)12-14-30/h1,4-11,15,30H,2-3,12-14,16H2.
What are the key properties of 2-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]ethanol?
2-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]ethanol has a molecular weight of 412.46 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]ethanol is sourced from PubChem (CID 144894096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).