5,5,5-trifluoro-2,4-dimethyl-4-pyridin-4-yl-1-quinolin-4-ylpentan-2-ol

C21H21F3N2O — CID 68731437

IUPAC5,5,5-trifluoro-2,4-dimethyl-4-pyridin-4-yl-1-quinolin-4-ylpentan-2-ol
SMILESCC(O)(Cc1ccnc2ccccc12)CC(C)(c1ccncc1)C(F)(F)F
InChIInChI=1S/C21H21F3N2O/c1-19(27,13-15-7-12-26-18-6-4-3-5-17(15)18)14-20(2,21(22,23)24)16-8-10-25-11-9-16/h3-12,27H,13-14H2,1-2H3
InChIKeyQHKBQHCDLBDAJX-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.83
Rot. Bonds5

About 5,5,5-trifluoro-2,4-dimethyl-4-pyridin-4-yl-1-quinolin-4-ylpentan-2-ol

5,5,5-trifluoro-2,4-dimethyl-4-pyridin-4-yl-1-quinolin-4-ylpentan-2-ol (PubChem CID 68731437) has the molecular formula C21H21F3N2O and a molecular weight of 374.41 g/mol. Its IUPAC name is 5,5,5-trifluoro-2,4-dimethyl-4-pyridin-4-yl-1-quinolin-4-ylpentan-2-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-2,4-dimethyl-4-pyridin-4-yl-1-quinolin-4-ylpentan-2-ol
PubChem CID68731437
Molecular FormulaC21H21F3N2O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name5,5,5-trifluoro-2,4-dimethyl-4-pyridin-4-yl-1-quinolin-4-ylpentan-2-ol
SMILESCC(O)(Cc1ccnc2ccccc12)CC(C)(c1ccncc1)C(F)(F)F
InChIInChI=1S/C21H21F3N2O/c1-19(27,13-15-7-12-26-18-6-4-3-5-17(15)18)14-20(2,21(22,23)24)16-8-10-25-11-9-16/h3-12,27H,13-14H2,1-2H3
InChIKeyQHKBQHCDLBDAJX-UHFFFAOYSA-N
XLogP4.83
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5,5-trifluoro-2,4-dimethyl-4-pyridin-4-yl-1-quinolin-4-ylpentan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

4-(3,4-dihydro-2H-chromen-8-yl)-5,5,5-trifluoro-2,4-dimethyl-1-quinolin-4-ylpentan-2-ol
CID 69370929
1,1,1-trifluoro-4-methyl-2-(quinolin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 22398523
1,1,1-trifluoro-4-(1-methoxynaphthalen-2-yl)-4-methyl-2-(quinolin-4-ylmethyl)pentan-2-ol
CID 22398612
5-fluoro-2-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(quinolin-4-ylmethyl)pentan-2-yl]phenol
CID 22398563
3-(quinolin-4-ylmethyl)hexan-3-ol
CID 114079980
3,3-dimethyl-4-quinolin-4-ylbutan-1-amine
CID 81014335
4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline
CID 58044376
4-(2-pyridin-4-ylethyl)quinoline
CID 70184039
1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-quinolin-4-ylpropan-2-ol
CID 24749151
4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pentan-2-ol;1,1,1-trifluoro-4-methyl-4-phenyl-2-(quinolin-4-ylmethyl)pentan-2-ol
CID 161388494
3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one
CID 103456262
2-methyl-2-(quinolin-4-ylmethylamino)propan-1-ol
CID 63868080

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-2,4-dimethyl-4-pyridin-4-yl-1-quinolin-4-ylpentan-2-ol?
The IUPAC name of 5,5,5-trifluoro-2,4-dimethyl-4-pyridin-4-yl-1-quinolin-4-ylpentan-2-ol (CID 68731437) is 5,5,5-trifluoro-2,4-dimethyl-4-pyridin-4-yl-1-quinolin-4-ylpentan-2-ol.
What is the SMILES notation for 5,5,5-trifluoro-2,4-dimethyl-4-pyridin-4-yl-1-quinolin-4-ylpentan-2-ol?
The canonical SMILES for 5,5,5-trifluoro-2,4-dimethyl-4-pyridin-4-yl-1-quinolin-4-ylpentan-2-ol is CC(O)(Cc1ccnc2ccccc12)CC(C)(c1ccncc1)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-2,4-dimethyl-4-pyridin-4-yl-1-quinolin-4-ylpentan-2-ol?
The InChIKey is QHKBQHCDLBDAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O/c1-19(27,13-15-7-12-26-18-6-4-3-5-17(15)18)14-20(2,21(22,23)24)16-8-10-25-11-9-16/h3-12,27H,13-14H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-2,4-dimethyl-4-pyridin-4-yl-1-quinolin-4-ylpentan-2-ol?
5,5,5-trifluoro-2,4-dimethyl-4-pyridin-4-yl-1-quinolin-4-ylpentan-2-ol has a molecular weight of 374.41 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-2,4-dimethyl-4-pyridin-4-yl-1-quinolin-4-ylpentan-2-ol is sourced from PubChem (CID 68731437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).