1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one

C23H18INO2 — CID 142438185

IUPAC1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
SMILESCOc1c(-c2ccccc2)c2ccccc2n(Cc2ccccc2I)c1=O
InChIInChI=1S/C23H18INO2/c1-27-22-21(16-9-3-2-4-10-16)18-12-6-8-14-20(18)25(23(22)26)15-17-11-5-7-13-19(17)24/h2-14H,15H2,1H3
InChIKeyCDGNUKOYGCKFFR-UHFFFAOYSA-N
MW467.31 g/mol
LogP5.33
Rot. Bonds4

About 1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one

1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one (PubChem CID 142438185) has the molecular formula C23H18INO2 and a molecular weight of 467.31 g/mol. Its IUPAC name is 1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one.

Molecular Properties

Compound Name1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
PubChem CID142438185
Molecular FormulaC23H18INO2
Molecular Weight467.31 g/mol
Exact Mass467.04
IUPAC Name1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
SMILESCOc1c(-c2ccccc2)c2ccccc2n(Cc2ccccc2I)c1=O
InChIInChI=1S/C23H18INO2/c1-27-22-21(16-9-3-2-4-10-16)18-12-6-8-14-20(18)25(23(22)26)15-17-11-5-7-13-19(17)24/h2-14H,15H2,1H3
InChIKeyCDGNUKOYGCKFFR-UHFFFAOYSA-N
XLogP5.33
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.31
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438213
3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one
CID 142438224
4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one
CID 142438166
1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one
CID 142438230
1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one
CID 142438232
1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile
CID 58852253
6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438165
1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one
CID 142438199
1-[(2-iodophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 19353976
3-bromo-1-methyl-4-phenylquinolin-2-one
CID 50999162
4-chloro-1-ethyl-3-phenylquinolin-2-one
CID 139216417
2-iodo-1-methyl-3-phenylindole
CID 76846489

Frequently Asked Questions

What is the IUPAC name of 1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one?
The IUPAC name of 1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one (CID 142438185) is 1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one.
What is the SMILES notation for 1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one?
The canonical SMILES for 1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one is COc1c(-c2ccccc2)c2ccccc2n(Cc2ccccc2I)c1=O.
What is the InChIKey of 1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one?
The InChIKey is CDGNUKOYGCKFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18INO2/c1-27-22-21(16-9-3-2-4-10-16)18-12-6-8-14-20(18)25(23(22)26)15-17-11-5-7-13-19(17)24/h2-14H,15H2,1H3.
What are the key properties of 1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one?
1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one has a molecular weight of 467.31 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-iodophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one is sourced from PubChem (CID 142438185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).