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

C16H13ClINO — CID 79784832

IUPAC1-[(4-chlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(I)ccc2N1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClINO/c17-13-4-1-11(2-5-13)10-19-15-7-6-14(18)9-12(15)3-8-16(19)20/h1-2,4-7,9H,3,8,10H2
InChIKeyJMFWLZXYVXUVCJ-UHFFFAOYSA-N
MW397.64 g/mol
LogP4.42
Rot. Bonds2

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

1-[(4-chlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one (PubChem CID 79784832) has the molecular formula C16H13ClINO and a molecular weight of 397.64 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
PubChem CID79784832
Molecular FormulaC16H13ClINO
Molecular Weight397.64 g/mol
Exact Mass396.97
IUPAC Name1-[(4-chlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(I)ccc2N1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClINO/c17-13-4-1-11(2-5-13)10-19-15-7-6-14(18)9-12(15)3-8-16(19)20/h1-2,4-7,9H,3,8,10H2
InChIKeyJMFWLZXYVXUVCJ-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.64
LogP ≤ 54.42
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-[(3,4-dichlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79783131
1-[(4-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79785399
1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 114935100
1-[(3-bromo-5-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79783152
1-[(2,5-dimethylphenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79783150
1-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-3H-indol-2-one
CID 114862460
N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-5-carboxamide
CID 60597542
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-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylpentanamide
CID 119756427
6-chloro-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]pyridine-3-carboxamide
CID 60597421
3-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]cyclopentane-1-carboxamide
CID 119756405

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one (CID 79784832) is 1-[(4-chlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one is O=C1CCc2cc(I)ccc2N1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one?
The InChIKey is JMFWLZXYVXUVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClINO/c17-13-4-1-11(2-5-13)10-19-15-7-6-14(18)9-12(15)3-8-16(19)20/h1-2,4-7,9H,3,8,10H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one?
1-[(4-chlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one has a molecular weight of 397.64 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 79784832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).