2-(4-chlorophenyl)-3-hydroxy-6-iodoquinoline-4-carboxylic acid

C16H9ClINO3 — CID 14498148

IUPAC2-(4-chlorophenyl)-3-hydroxy-6-iodoquinoline-4-carboxylic acid
SMILESO=C(O)c1c(O)c(-c2ccc(Cl)cc2)nc2ccc(I)cc12
InChIInChI=1S/C16H9ClINO3/c17-9-3-1-8(2-4-9)14-15(20)13(16(21)22)11-7-10(18)5-6-12(11)19-14/h1-7,20H,(H,21,22)
InChIKeyCVGASSCQDGITDH-UHFFFAOYSA-N
MW425.61 g/mol
LogP4.56
Rot. Bonds2

About 2-(4-chlorophenyl)-3-hydroxy-6-iodoquinoline-4-carboxylic acid

2-(4-chlorophenyl)-3-hydroxy-6-iodoquinoline-4-carboxylic acid (PubChem CID 14498148) has the molecular formula C16H9ClINO3 and a molecular weight of 425.61 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-hydroxy-6-iodoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-hydroxy-6-iodoquinoline-4-carboxylic acid
PubChem CID14498148
Molecular FormulaC16H9ClINO3
Molecular Weight425.61 g/mol
Exact Mass424.93
IUPAC Name2-(4-chlorophenyl)-3-hydroxy-6-iodoquinoline-4-carboxylic acid
SMILESO=C(O)c1c(O)c(-c2ccc(Cl)cc2)nc2ccc(I)cc12
InChIInChI=1S/C16H9ClINO3/c17-9-3-1-8(2-4-9)14-15(20)13(16(21)22)11-7-10(18)5-6-12(11)19-14/h1-7,20H,(H,21,22)
InChIKeyCVGASSCQDGITDH-UHFFFAOYSA-N
XLogP4.56
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.61
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-hydroxy-6-iodoquinoline-4-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-3-hydroxy-6-iodoquinoline-4-carboxylic acid (CID 14498148) is 2-(4-chlorophenyl)-3-hydroxy-6-iodoquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-3-hydroxy-6-iodoquinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-3-hydroxy-6-iodoquinoline-4-carboxylic acid is O=C(O)c1c(O)c(-c2ccc(Cl)cc2)nc2ccc(I)cc12.
What is the InChIKey of 2-(4-chlorophenyl)-3-hydroxy-6-iodoquinoline-4-carboxylic acid?
The InChIKey is CVGASSCQDGITDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClINO3/c17-9-3-1-8(2-4-9)14-15(20)13(16(21)22)11-7-10(18)5-6-12(11)19-14/h1-7,20H,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-3-hydroxy-6-iodoquinoline-4-carboxylic acid?
2-(4-chlorophenyl)-3-hydroxy-6-iodoquinoline-4-carboxylic acid has a molecular weight of 425.61 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-hydroxy-6-iodoquinoline-4-carboxylic acid is sourced from PubChem (CID 14498148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).