6-[chloro-(2-iodophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione

C15H10ClIN2O2 — CID 61085146

IUPAC6-[chloro-(2-iodophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(C(Cl)c3ccccc3I)cc2[nH]c1=O
InChIInChI=1S/C15H10ClIN2O2/c16-13(9-3-1-2-4-10(9)17)8-5-6-11-12(7-8)19-15(21)14(20)18-11/h1-7,13H,(H,18,20)(H,19,21)
InChIKeyUVOSFDKAECWVEP-UHFFFAOYSA-N
MW412.61 g/mol
LogP3.15
Rot. Bonds2

About 6-[chloro-(2-iodophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione

6-[chloro-(2-iodophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 61085146) has the molecular formula C15H10ClIN2O2 and a molecular weight of 412.61 g/mol. Its IUPAC name is 6-[chloro-(2-iodophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[chloro-(2-iodophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID61085146
Molecular FormulaC15H10ClIN2O2
Molecular Weight412.61 g/mol
Exact Mass411.95
IUPAC Name6-[chloro-(2-iodophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(C(Cl)c3ccccc3I)cc2[nH]c1=O
InChIInChI=1S/C15H10ClIN2O2/c16-13(9-3-1-2-4-10(9)17)8-5-6-11-12(7-8)19-15(21)14(20)18-11/h1-7,13H,(H,18,20)(H,19,21)
InChIKeyUVOSFDKAECWVEP-UHFFFAOYSA-N
XLogP3.15
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.61
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dichloro-4-[chloro-(2-iodophenyl)methyl]benzene
CID 63436197
6-[amino-(2-chlorophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43097312
5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one
CID 61086610
5-[chloro-(2-iodophenyl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 80500038
6-[(5-bromothiophen-3-yl)-chloromethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 107964474
4-[chloro-(2-iodophenyl)methyl]-1,2-dimethoxybenzene
CID 61082755
6-[chloro-(2-iodophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010538
5-[chloro-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61085783
6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 61088243
5-[chloro-(3-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61086586
5-[chloro-(3,5-dibromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 107980822
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(2-iodophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[chloro-(2-iodophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione (CID 61085146) is 6-[chloro-(2-iodophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[chloro-(2-iodophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[chloro-(2-iodophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2ccc(C(Cl)c3ccccc3I)cc2[nH]c1=O.
What is the InChIKey of 6-[chloro-(2-iodophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is UVOSFDKAECWVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClIN2O2/c16-13(9-3-1-2-4-10(9)17)8-5-6-11-12(7-8)19-15(21)14(20)18-11/h1-7,13H,(H,18,20)(H,19,21).
What are the key properties of 6-[chloro-(2-iodophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[chloro-(2-iodophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 412.61 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(2-iodophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 61085146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).