[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone

C20H19FN2O2S — CID 166254911

IUPAC[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone
SMILESO=C([C@@H]1CSC(c2ccccc2)=N1)N1CC(CO)Cc2cccc(F)c21
InChIInChI=1S/C20H19FN2O2S/c21-16-8-4-7-15-9-13(11-24)10-23(18(15)16)20(25)17-12-26-19(22-17)14-5-2-1-3-6-14/h1-8,13,17,24H,9-12H2/t13?,17-/m0/s1
InChIKeyORBUZLSOUUFTDQ-RUINGEJQSA-N
MW370.45 g/mol
LogP2.89
Rot. Bonds3

About [8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone

[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone (PubChem CID 166254911) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is [8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone
PubChem CID166254911
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone
SMILESO=C([C@@H]1CSC(c2ccccc2)=N1)N1CC(CO)Cc2cccc(F)c21
InChIInChI=1S/C20H19FN2O2S/c21-16-8-4-7-15-9-13(11-24)10-23(18(15)16)20(25)17-12-26-19(22-17)14-5-2-1-3-6-14/h1-8,13,17,24H,9-12H2/t13?,17-/m0/s1
InChIKeyORBUZLSOUUFTDQ-RUINGEJQSA-N
XLogP2.89
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone?
The IUPAC name of [8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone (CID 166254911) is [8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone is O=C([C@@H]1CSC(c2ccccc2)=N1)N1CC(CO)Cc2cccc(F)c21.
What is the InChIKey of [8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone?
The InChIKey is ORBUZLSOUUFTDQ-RUINGEJQSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c21-16-8-4-7-15-9-13(11-24)10-23(18(15)16)20(25)17-12-26-19(22-17)14-5-2-1-3-6-14/h1-8,13,17,24H,9-12H2/t13?,17-/m0/s1.
What are the key properties of [8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone?
[8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone has a molecular weight of 370.45 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-fluoro-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]-[(4R)-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 166254911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).