1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one

C16H12F2INO — CID 114935100

IUPAC1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(I)ccc2N1Cc1c(F)cccc1F
InChIInChI=1S/C16H12F2INO/c17-13-2-1-3-14(18)12(13)9-20-15-6-5-11(19)8-10(15)4-7-16(20)21/h1-3,5-6,8H,4,7,9H2
InChIKeyNRUDWUIROSXSNS-UHFFFAOYSA-N
MW399.18 g/mol
LogP4.05
Rot. Bonds2

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

1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one (PubChem CID 114935100) has the molecular formula C16H12F2INO and a molecular weight of 399.18 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
PubChem CID114935100
Molecular FormulaC16H12F2INO
Molecular Weight399.18 g/mol
Exact Mass398.99
IUPAC Name1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(I)ccc2N1Cc1c(F)cccc1F
InChIInChI=1S/C16H12F2INO/c17-13-2-1-3-14(18)12(13)9-20-15-6-5-11(19)8-10(15)4-7-16(20)21/h1-3,5-6,8H,4,7,9H2
InChIKeyNRUDWUIROSXSNS-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.18
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-1-[(2,6-difluorophenyl)methyl]-3,4-dihydroquinolin-2-one
CID 114930164
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-[(3-bromo-5-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79783152
1-[(3,4-dichlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79783131
1-[(2,5-dimethylphenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79783150
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-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-3H-indol-2-one
CID 114862460
N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide
CID 138673308
7-iodo-1-(2-methylsulfonylethyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 79787473
7-iodo-1-(3-methylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 79787133

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one (CID 114935100) is 1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one is O=C1CCc2cc(I)ccc2N1Cc1c(F)cccc1F.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one?
The InChIKey is NRUDWUIROSXSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2INO/c17-13-2-1-3-14(18)12(13)9-20-15-6-5-11(19)8-10(15)4-7-16(20)21/h1-3,5-6,8H,4,7,9H2.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one?
1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one has a molecular weight of 399.18 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 114935100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).