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

C16H13FINO — CID 79785399

IUPAC1-[(4-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(I)ccc2N1Cc1ccc(F)cc1
InChIInChI=1S/C16H13FINO/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
InChIKeyYSENXQZMXVQJNF-UHFFFAOYSA-N
MW381.19 g/mol
LogP3.91
Rot. Bonds2

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

1-[(4-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one (PubChem CID 79785399) has the molecular formula C16H13FINO and a molecular weight of 381.19 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
PubChem CID79785399
Molecular FormulaC16H13FINO
Molecular Weight381.19 g/mol
Exact Mass381.00
IUPAC Name1-[(4-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(I)ccc2N1Cc1ccc(F)cc1
InChIInChI=1S/C16H13FINO/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
InChIKeyYSENXQZMXVQJNF-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.19
LogP ≤ 53.91
H-Bond Donors ≤ 50
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 1-[(4-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one (CID 79785399) is 1-[(4-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one is O=C1CCc2cc(I)ccc2N1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one?
The InChIKey is YSENXQZMXVQJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FINO/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-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one?
1-[(4-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one has a molecular weight of 381.19 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 79785399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).