6-fluoro-8-iodo-3-methyl-2-phenyl-1H-quinolin-4-one

C16H11FINO — CID 104845949

IUPAC6-fluoro-8-iodo-3-methyl-2-phenyl-1H-quinolin-4-one
SMILESCc1c(-c2ccccc2)[nH]c2c(I)cc(F)cc2c1=O
InChIInChI=1S/C16H11FINO/c1-9-14(10-5-3-2-4-6-10)19-15-12(16(9)20)7-11(17)8-13(15)18/h2-8H,1H3,(H,19,20)
InChIKeyUSDDHFMVOQDTBK-UHFFFAOYSA-N
MW379.17 g/mol
LogP4.25
Rot. Bonds1

About 6-fluoro-8-iodo-3-methyl-2-phenyl-1H-quinolin-4-one

6-fluoro-8-iodo-3-methyl-2-phenyl-1H-quinolin-4-one (PubChem CID 104845949) has the molecular formula C16H11FINO and a molecular weight of 379.17 g/mol. Its IUPAC name is 6-fluoro-8-iodo-3-methyl-2-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-8-iodo-3-methyl-2-phenyl-1H-quinolin-4-one
PubChem CID104845949
Molecular FormulaC16H11FINO
Molecular Weight379.17 g/mol
Exact Mass378.99
IUPAC Name6-fluoro-8-iodo-3-methyl-2-phenyl-1H-quinolin-4-one
SMILESCc1c(-c2ccccc2)[nH]c2c(I)cc(F)cc2c1=O
InChIInChI=1S/C16H11FINO/c1-9-14(10-5-3-2-4-6-10)19-15-12(16(9)20)7-11(17)8-13(15)18/h2-8H,1H3,(H,19,20)
InChIKeyUSDDHFMVOQDTBK-UHFFFAOYSA-N
XLogP4.25
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.17
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-iodo-3-methyl-2-phenyl-1H-quinolin-4-one?
The IUPAC name of 6-fluoro-8-iodo-3-methyl-2-phenyl-1H-quinolin-4-one (CID 104845949) is 6-fluoro-8-iodo-3-methyl-2-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-8-iodo-3-methyl-2-phenyl-1H-quinolin-4-one?
The canonical SMILES for 6-fluoro-8-iodo-3-methyl-2-phenyl-1H-quinolin-4-one is Cc1c(-c2ccccc2)[nH]c2c(I)cc(F)cc2c1=O.
What is the InChIKey of 6-fluoro-8-iodo-3-methyl-2-phenyl-1H-quinolin-4-one?
The InChIKey is USDDHFMVOQDTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FINO/c1-9-14(10-5-3-2-4-6-10)19-15-12(16(9)20)7-11(17)8-13(15)18/h2-8H,1H3,(H,19,20).
What are the key properties of 6-fluoro-8-iodo-3-methyl-2-phenyl-1H-quinolin-4-one?
6-fluoro-8-iodo-3-methyl-2-phenyl-1H-quinolin-4-one has a molecular weight of 379.17 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-iodo-3-methyl-2-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 104845949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).