1-[(3-bromo-5-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one

C16H12BrFINO — CID 79783152

IUPAC1-[(3-bromo-5-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(I)ccc2N1Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H12BrFINO/c17-12-5-10(6-13(18)8-12)9-20-15-3-2-14(19)7-11(15)1-4-16(20)21/h2-3,5-8H,1,4,9H2
InChIKeyHQNZSLQAHFUFGD-UHFFFAOYSA-N
MW460.08 g/mol
LogP4.67
Rot. Bonds2

About 1-[(3-bromo-5-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one

1-[(3-bromo-5-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one (PubChem CID 79783152) has the molecular formula C16H12BrFINO and a molecular weight of 460.08 g/mol. Its IUPAC name is 1-[(3-bromo-5-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[(3-bromo-5-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
PubChem CID79783152
Molecular FormulaC16H12BrFINO
Molecular Weight460.08 g/mol
Exact Mass458.91
IUPAC Name1-[(3-bromo-5-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(I)ccc2N1Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H12BrFINO/c17-12-5-10(6-13(18)8-12)9-20-15-3-2-14(19)7-11(15)1-4-16(20)21/h2-3,5-8H,1,4,9H2
InChIKeyHQNZSLQAHFUFGD-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.08
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79785399
1-[(4-chlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79784832
1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 114935100
1-[(3,4-dichlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79783131
2-[(3-bromo-5-fluorophenyl)methyl]-5-iodoisoindole-1,3-dione
CID 79782001
1-[(2,5-dimethylphenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79783150
1-[(3,5-dimethylphenyl)methyl]-5-iodo-3H-indol-2-one
CID 79787632
4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide
CID 164609818
6-(6-iodo-2-oxo-3,4-dihydroquinolin-1-yl)hexanoic acid
CID 79784361
1-[(2,5-difluorophenyl)methyl]-5-iodo-3H-indol-2-one
CID 79787371
1-[(3-bromo-4-methoxyphenyl)methyl]-5-iodo-3H-indol-2-one
CID 79783159
2-[(3-bromo-5-fluorophenyl)methyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513832

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one (CID 79783152) is 1-[(3-bromo-5-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[(3-bromo-5-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[(3-bromo-5-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one is O=C1CCc2cc(I)ccc2N1Cc1cc(F)cc(Br)c1.
What is the InChIKey of 1-[(3-bromo-5-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one?
The InChIKey is HQNZSLQAHFUFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFINO/c17-12-5-10(6-13(18)8-12)9-20-15-3-2-14(19)7-11(15)1-4-16(20)21/h2-3,5-8H,1,4,9H2.
What are the key properties of 1-[(3-bromo-5-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one?
1-[(3-bromo-5-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one has a molecular weight of 460.08 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-5-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 79783152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).