1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-hydroxy-3-phenylbutan-1-one

C19H20FNO2 — CID 110024876

IUPAC1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-hydroxy-3-phenylbutan-1-one
SMILESCC(O)(CC(=O)N1CCCc2cc(F)ccc21)c1ccccc1
InChIInChI=1S/C19H20FNO2/c1-19(23,15-7-3-2-4-8-15)13-18(22)21-11-5-6-14-12-16(20)9-10-17(14)21/h2-4,7-10,12,23H,5-6,11,13H2,1H3
InChIKeyRJZNMMYTEHXHRO-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.40
Rot. Bonds3

About 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-hydroxy-3-phenylbutan-1-one

1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-hydroxy-3-phenylbutan-1-one (PubChem CID 110024876) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-hydroxy-3-phenylbutan-1-one.

Molecular Properties

Compound Name1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-hydroxy-3-phenylbutan-1-one
PubChem CID110024876
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-hydroxy-3-phenylbutan-1-one
SMILESCC(O)(CC(=O)N1CCCc2cc(F)ccc21)c1ccccc1
InChIInChI=1S/C19H20FNO2/c1-19(23,15-7-3-2-4-8-15)13-18(22)21-11-5-6-14-12-16(20)9-10-17(14)21/h2-4,7-10,12,23H,5-6,11,13H2,1H3
InChIKeyRJZNMMYTEHXHRO-UHFFFAOYSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-hydroxy-3-phenylbutan-1-one?
The IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-hydroxy-3-phenylbutan-1-one (CID 110024876) is 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-hydroxy-3-phenylbutan-1-one.
What is the SMILES notation for 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-hydroxy-3-phenylbutan-1-one?
The canonical SMILES for 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-hydroxy-3-phenylbutan-1-one is CC(O)(CC(=O)N1CCCc2cc(F)ccc21)c1ccccc1.
What is the InChIKey of 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-hydroxy-3-phenylbutan-1-one?
The InChIKey is RJZNMMYTEHXHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-19(23,15-7-3-2-4-8-15)13-18(22)21-11-5-6-14-12-16(20)9-10-17(14)21/h2-4,7-10,12,23H,5-6,11,13H2,1H3.
What are the key properties of 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-hydroxy-3-phenylbutan-1-one?
1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-hydroxy-3-phenylbutan-1-one has a molecular weight of 313.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-hydroxy-3-phenylbutan-1-one is sourced from PubChem (CID 110024876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).