1-[(3,5-difluorophenyl)methyl]-2,3-dihydroquinolin-4-one

C16H13F2NO — CID 105403514

IUPAC1-[(3,5-difluorophenyl)methyl]-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(Cc2cc(F)cc(F)c2)c2ccccc21
InChIInChI=1S/C16H13F2NO/c17-12-7-11(8-13(18)9-12)10-19-6-5-16(20)14-3-1-2-4-15(14)19/h1-4,7-9H,5-6,10H2
InChIKeyYQKYAXCCYKDJRZ-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.56
Rot. Bonds2

About 1-[(3,5-difluorophenyl)methyl]-2,3-dihydroquinolin-4-one

1-[(3,5-difluorophenyl)methyl]-2,3-dihydroquinolin-4-one (PubChem CID 105403514) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-2,3-dihydroquinolin-4-one
PubChem CID105403514
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name1-[(3,5-difluorophenyl)methyl]-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(Cc2cc(F)cc(F)c2)c2ccccc21
InChIInChI=1S/C16H13F2NO/c17-12-7-11(8-13(18)9-12)10-19-6-5-16(20)14-3-1-2-4-15(14)19/h1-4,7-9H,5-6,10H2
InChIKeyYQKYAXCCYKDJRZ-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-2,3-dihydroquinolin-4-one (CID 105403514) is 1-[(3,5-difluorophenyl)methyl]-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-2,3-dihydroquinolin-4-one is O=C1CCN(Cc2cc(F)cc(F)c2)c2ccccc21.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-2,3-dihydroquinolin-4-one?
The InChIKey is YQKYAXCCYKDJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c17-12-7-11(8-13(18)9-12)10-19-6-5-16(20)14-3-1-2-4-15(14)19/h1-4,7-9H,5-6,10H2.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-2,3-dihydroquinolin-4-one?
1-[(3,5-difluorophenyl)methyl]-2,3-dihydroquinolin-4-one has a molecular weight of 273.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 105403514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).