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

C16H12Cl2INO — CID 79783131

IUPAC1-[(3,4-dichlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(I)ccc2N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2INO/c17-13-4-1-10(7-14(13)18)9-20-15-5-3-12(19)8-11(15)2-6-16(20)21/h1,3-5,7-8H,2,6,9H2
InChIKeyCFFFUWWFIGXJAM-UHFFFAOYSA-N
MW432.09 g/mol
LogP5.08
Rot. Bonds2

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

1-[(3,4-dichlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one (PubChem CID 79783131) has the molecular formula C16H12Cl2INO and a molecular weight of 432.09 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
PubChem CID79783131
Molecular FormulaC16H12Cl2INO
Molecular Weight432.09 g/mol
Exact Mass430.93
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(I)ccc2N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2INO/c17-13-4-1-10(7-14(13)18)9-20-15-5-3-12(19)8-11(15)2-6-16(20)21/h1,3-5,7-8H,2,6,9H2
InChIKeyCFFFUWWFIGXJAM-UHFFFAOYSA-N
XLogP5.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.09
LogP ≤ 55.08
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-chlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79784832
1-[(4-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79785399
1-[(3-bromo-5-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79783152
1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 114935100
1-[(2,5-dimethylphenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79783150
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea
CID 30376488
4-[(3,4-dichlorophenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione
CID 1478967
1-[(3,5-dimethylphenyl)methyl]-5-iodo-3H-indol-2-one
CID 79787632
6-(6-iodo-2-oxo-3,4-dihydroquinolin-1-yl)hexanoic acid
CID 79784361
2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid
CID 102711258
1-[(3-bromo-4-methoxyphenyl)methyl]-5-iodo-3H-indol-2-one
CID 79783159
4-[(3-chloro-4-fluorophenyl)methyl]-6-iodo-1,4-benzoxazin-3-one
CID 103042239

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one (CID 79783131) is 1-[(3,4-dichlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one is O=C1CCc2cc(I)ccc2N1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one?
The InChIKey is CFFFUWWFIGXJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2INO/c17-13-4-1-10(7-14(13)18)9-20-15-5-3-12(19)8-11(15)2-6-16(20)21/h1,3-5,7-8H,2,6,9H2.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one?
1-[(3,4-dichlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one has a molecular weight of 432.09 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 79783131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).