[2-(2-iodophenyl)-2-oxoethyl] 3-hydroxy-2-(2-iodophenyl)-4-oxo-1H-quinoline-7-carboxylate

C24H15I2NO5 — CID 11664630

IUPAC[2-(2-iodophenyl)-2-oxoethyl] 3-hydroxy-2-(2-iodophenyl)-4-oxo-1H-quinoline-7-carboxylate
SMILESO=C(OCC(=O)c1ccccc1I)c1ccc2c(=O)c(O)c(-c3ccccc3I)[nH]c2c1
InChIInChI=1S/C24H15I2NO5/c25-17-7-3-1-5-14(17)20(28)12-32-24(31)13-9-10-16-19(11-13)27-21(23(30)22(16)29)15-6-2-4-8-18(15)26/h1-11,30H,12H2,(H,27,29)
InChIKeyHXFWDSGSJYHDCX-UHFFFAOYSA-N
MW651.19 g/mol
LogP5.15
Rot. Bonds5

About [2-(2-iodophenyl)-2-oxoethyl] 3-hydroxy-2-(2-iodophenyl)-4-oxo-1H-quinoline-7-carboxylate

[2-(2-iodophenyl)-2-oxoethyl] 3-hydroxy-2-(2-iodophenyl)-4-oxo-1H-quinoline-7-carboxylate (PubChem CID 11664630) has the molecular formula C24H15I2NO5 and a molecular weight of 651.19 g/mol. Its IUPAC name is [2-(2-iodophenyl)-2-oxoethyl] 3-hydroxy-2-(2-iodophenyl)-4-oxo-1H-quinoline-7-carboxylate.

Molecular Properties

Compound Name[2-(2-iodophenyl)-2-oxoethyl] 3-hydroxy-2-(2-iodophenyl)-4-oxo-1H-quinoline-7-carboxylate
PubChem CID11664630
Molecular FormulaC24H15I2NO5
Molecular Weight651.19 g/mol
Exact Mass650.90
IUPAC Name[2-(2-iodophenyl)-2-oxoethyl] 3-hydroxy-2-(2-iodophenyl)-4-oxo-1H-quinoline-7-carboxylate
SMILESO=C(OCC(=O)c1ccccc1I)c1ccc2c(=O)c(O)c(-c3ccccc3I)[nH]c2c1
InChIInChI=1S/C24H15I2NO5/c25-17-7-3-1-5-14(17)20(28)12-32-24(31)13-9-10-16-19(11-13)27-21(23(30)22(16)29)15-6-2-4-8-18(15)26/h1-11,30H,12H2,(H,27,29)
InChIKeyHXFWDSGSJYHDCX-UHFFFAOYSA-N
XLogP5.15
TPSA96.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.19
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] 3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylate
CID 153379031
[2-(1H-indol-3-yl)-2-oxoethyl] 2-iodobenzoate
CID 2689629
phenacyl 2-oxo-1H-quinoline-4-carboxylate
CID 684408
3-hydroxy-2-(4-methoxyphenyl)-4-oxo-1H-quinoline-7-carboxylic acid
CID 153379054
bromomethyl 2,4-dioxo-1H-quinazoline-7-carboxylate
CID 19604286
[2-(1H-indol-3-yl)-2-oxoethyl] 3,5-difluorobenzoate
CID 4030553
[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate
CID 1337088
(2-naphthalen-1-yl-2-oxoethyl) 2-[2-(2-naphthalen-1-yl-2-oxoethoxy)carbonylphenyl]-1,3-dioxoisoindole-5-carboxylate
CID 126187854
[2-(4-nitrophenyl)-2-oxoethyl] 3-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate
CID 1128716
3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide
CID 16745860
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761796
(2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate
CID 27535021

Frequently Asked Questions

What is the IUPAC name of [2-(2-iodophenyl)-2-oxoethyl] 3-hydroxy-2-(2-iodophenyl)-4-oxo-1H-quinoline-7-carboxylate?
The IUPAC name of [2-(2-iodophenyl)-2-oxoethyl] 3-hydroxy-2-(2-iodophenyl)-4-oxo-1H-quinoline-7-carboxylate (CID 11664630) is [2-(2-iodophenyl)-2-oxoethyl] 3-hydroxy-2-(2-iodophenyl)-4-oxo-1H-quinoline-7-carboxylate.
What is the SMILES notation for [2-(2-iodophenyl)-2-oxoethyl] 3-hydroxy-2-(2-iodophenyl)-4-oxo-1H-quinoline-7-carboxylate?
The canonical SMILES for [2-(2-iodophenyl)-2-oxoethyl] 3-hydroxy-2-(2-iodophenyl)-4-oxo-1H-quinoline-7-carboxylate is O=C(OCC(=O)c1ccccc1I)c1ccc2c(=O)c(O)c(-c3ccccc3I)[nH]c2c1.
What is the InChIKey of [2-(2-iodophenyl)-2-oxoethyl] 3-hydroxy-2-(2-iodophenyl)-4-oxo-1H-quinoline-7-carboxylate?
The InChIKey is HXFWDSGSJYHDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15I2NO5/c25-17-7-3-1-5-14(17)20(28)12-32-24(31)13-9-10-16-19(11-13)27-21(23(30)22(16)29)15-6-2-4-8-18(15)26/h1-11,30H,12H2,(H,27,29).
What are the key properties of [2-(2-iodophenyl)-2-oxoethyl] 3-hydroxy-2-(2-iodophenyl)-4-oxo-1H-quinoline-7-carboxylate?
[2-(2-iodophenyl)-2-oxoethyl] 3-hydroxy-2-(2-iodophenyl)-4-oxo-1H-quinoline-7-carboxylate has a molecular weight of 651.19 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-iodophenyl)-2-oxoethyl] 3-hydroxy-2-(2-iodophenyl)-4-oxo-1H-quinoline-7-carboxylate is sourced from PubChem (CID 11664630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).