(3R)-3-benzyl-3-fluoro-1H-quinoline-2,4-dione

C16H12FNO2 — CID 825188

IUPAC(3R)-3-benzyl-3-fluoro-1H-quinoline-2,4-dione
SMILESO=C1Nc2ccccc2C(=O)[C@]1(F)Cc1ccccc1
InChIInChI=1S/C16H12FNO2/c17-16(10-11-6-2-1-3-7-11)14(19)12-8-4-5-9-13(12)18-15(16)20/h1-9H,10H2,(H,18,20)/t16-/m1/s1
InChIKeyLUFFBUJDPYJBIM-MRXNPFEDSA-N
MW269.28 g/mol
LogP2.77
Rot. Bonds2

About (3R)-3-benzyl-3-fluoro-1H-quinoline-2,4-dione

(3R)-3-benzyl-3-fluoro-1H-quinoline-2,4-dione (PubChem CID 825188) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is (3R)-3-benzyl-3-fluoro-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name(3R)-3-benzyl-3-fluoro-1H-quinoline-2,4-dione
PubChem CID825188
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name(3R)-3-benzyl-3-fluoro-1H-quinoline-2,4-dione
SMILESO=C1Nc2ccccc2C(=O)[C@]1(F)Cc1ccccc1
InChIInChI=1S/C16H12FNO2/c17-16(10-11-6-2-1-3-7-11)14(19)12-8-4-5-9-13(12)18-15(16)20/h1-9H,10H2,(H,18,20)/t16-/m1/s1
InChIKeyLUFFBUJDPYJBIM-MRXNPFEDSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-3-heptyl-1H-quinoline-2,4-dione
CID 2784364
3-[(4-bromophenyl)methyl]-3-fluoro-1H-indol-2-one
CID 71619697
3-chloro-3-phenyl-1H-quinoline-2,4-dione
CID 2785082
(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
CID 139192718
3-fluoro-3-[2-(2-phenylethylamino)ethyl]-1H-indol-2-one
CID 101057345
2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-one
CID 10777325
3-bromo-3-hexyl-1H-quinoline-2,4-dione
CID 10403960
2-[2-(3-fluoro-2-oxo-1H-indol-3-yl)ethyl]isoindole-1,3-dione
CID 11012759
(3R)-3-amino-3-benzyl-1,4-dihydroquinolin-2-one
CID 95387057
3-benzyl-3-phenylpyrrolidine-2,5-dione
CID 2843283
3-azido-3-benzyl-1H-indol-2-one
CID 170607134
4,4-dibenzyl-3,3-difluorooxetan-2-one
CID 10039731

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-3-fluoro-1H-quinoline-2,4-dione?
The IUPAC name of (3R)-3-benzyl-3-fluoro-1H-quinoline-2,4-dione (CID 825188) is (3R)-3-benzyl-3-fluoro-1H-quinoline-2,4-dione.
What is the SMILES notation for (3R)-3-benzyl-3-fluoro-1H-quinoline-2,4-dione?
The canonical SMILES for (3R)-3-benzyl-3-fluoro-1H-quinoline-2,4-dione is O=C1Nc2ccccc2C(=O)[C@]1(F)Cc1ccccc1.
What is the InChIKey of (3R)-3-benzyl-3-fluoro-1H-quinoline-2,4-dione?
The InChIKey is LUFFBUJDPYJBIM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-16(10-11-6-2-1-3-7-11)14(19)12-8-4-5-9-13(12)18-15(16)20/h1-9H,10H2,(H,18,20)/t16-/m1/s1.
What are the key properties of (3R)-3-benzyl-3-fluoro-1H-quinoline-2,4-dione?
(3R)-3-benzyl-3-fluoro-1H-quinoline-2,4-dione has a molecular weight of 269.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-3-fluoro-1H-quinoline-2,4-dione is sourced from PubChem (CID 825188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).