1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-quinolin-4-ylpropan-2-ol

C24H24F3NO — CID 24749151

IUPAC1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-quinolin-4-ylpropan-2-ol
SMILESCC1(CC(O)(Cc2ccnc3ccccc23)C(F)(F)F)CCCc2ccccc21
InChIInChI=1S/C24H24F3NO/c1-22(13-6-8-17-7-2-4-10-20(17)22)16-23(29,24(25,26)27)15-18-12-14-28-21-11-5-3-9-19(18)21/h2-5,7,9-12,14,29H,6,8,13,15-16H2,1H3
InChIKeyXULBSIKQABBRCP-UHFFFAOYSA-N
MW399.46 g/mol
LogP5.76
Rot. Bonds4

About 1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-quinolin-4-ylpropan-2-ol

1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-quinolin-4-ylpropan-2-ol (PubChem CID 24749151) has the molecular formula C24H24F3NO and a molecular weight of 399.46 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-quinolin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-quinolin-4-ylpropan-2-ol
PubChem CID24749151
Molecular FormulaC24H24F3NO
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-quinolin-4-ylpropan-2-ol
SMILESCC1(CC(O)(Cc2ccnc3ccccc23)C(F)(F)F)CCCc2ccccc21
InChIInChI=1S/C24H24F3NO/c1-22(13-6-8-17-7-2-4-10-20(17)22)16-23(29,24(25,26)27)15-18-12-14-28-21-11-5-3-9-19(18)21/h2-5,7,9-12,14,29H,6,8,13,15-16H2,1H3
InChIKeyXULBSIKQABBRCP-UHFFFAOYSA-N
XLogP5.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.46
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 94565802
5,5,5-trifluoro-2,4-dimethyl-4-pyridin-4-yl-1-quinolin-4-ylpentan-2-ol
CID 68731437
3-(quinolin-4-ylmethyl)hexan-3-ol
CID 114079980
2,2-dimethyl-1-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 79834580
1-quinolin-5-yl-2,3-dihydroinden-1-ol
CID 81196770
3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 81435291
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
3,3-dimethyl-4-quinolin-4-ylbutan-1-amine
CID 81014335

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-quinolin-4-ylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-quinolin-4-ylpropan-2-ol (CID 24749151) is 1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-quinolin-4-ylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-quinolin-4-ylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-quinolin-4-ylpropan-2-ol is CC1(CC(O)(Cc2ccnc3ccccc23)C(F)(F)F)CCCc2ccccc21.
What is the InChIKey of 1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-quinolin-4-ylpropan-2-ol?
The InChIKey is XULBSIKQABBRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO/c1-22(13-6-8-17-7-2-4-10-20(17)22)16-23(29,24(25,26)27)15-18-12-14-28-21-11-5-3-9-19(18)21/h2-5,7,9-12,14,29H,6,8,13,15-16H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-quinolin-4-ylpropan-2-ol?
1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-quinolin-4-ylpropan-2-ol has a molecular weight of 399.46 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-quinolin-4-ylpropan-2-ol is sourced from PubChem (CID 24749151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).