1-(3-phenylpropyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol

C19H20F3NO — CID 58834496

IUPAC1-(3-phenylpropyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol
SMILESOC1CCN(CCCc2ccccc2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H20F3NO/c20-19(21,22)15-8-9-17-16(13-15)18(24)10-12-23(17)11-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,18,24H,4,7,10-12H2
InChIKeyFSSBSPFTJPBBCJ-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.58
Rot. Bonds4

About 1-(3-phenylpropyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol

1-(3-phenylpropyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 58834496) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-(3-phenylpropyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol
PubChem CID58834496
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name1-(3-phenylpropyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol
SMILESOC1CCN(CCCc2ccccc2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H20F3NO/c20-19(21,22)15-8-9-17-16(13-15)18(24)10-12-23(17)11-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,18,24H,4,7,10-12H2
InChIKeyFSSBSPFTJPBBCJ-UHFFFAOYSA-N
XLogP4.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-(3-phenylpropyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol (CID 58834496) is 1-(3-phenylpropyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-(3-phenylpropyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-(3-phenylpropyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol is OC1CCN(CCCc2ccccc2)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-(3-phenylpropyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is FSSBSPFTJPBBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO/c20-19(21,22)15-8-9-17-16(13-15)18(24)10-12-23(17)11-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,18,24H,4,7,10-12H2.
What are the key properties of 1-(3-phenylpropyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol?
1-(3-phenylpropyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 335.37 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 58834496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).