5-chloro-N-ethyl-4-hydroxy-1-iodo-2-oxo-N-phenylquinoline-3-carboxamide

C18H14ClIN2O3 — CID 90334675

IUPAC5-chloro-N-ethyl-4-hydroxy-1-iodo-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(Cl)cccc2n(I)c1=O)c1ccccc1
InChIInChI=1S/C18H14ClIN2O3/c1-2-21(11-7-4-3-5-8-11)17(24)15-16(23)14-12(19)9-6-10-13(14)22(20)18(15)25/h3-10,23H,2H2,1H3
InChIKeyXHORZCQQNYIJCU-UHFFFAOYSA-N
MW468.68 g/mol
LogP4.23
Rot. Bonds3

About 5-chloro-N-ethyl-4-hydroxy-1-iodo-2-oxo-N-phenylquinoline-3-carboxamide

5-chloro-N-ethyl-4-hydroxy-1-iodo-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 90334675) has the molecular formula C18H14ClIN2O3 and a molecular weight of 468.68 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-hydroxy-1-iodo-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-hydroxy-1-iodo-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID90334675
Molecular FormulaC18H14ClIN2O3
Molecular Weight468.68 g/mol
Exact Mass467.97
IUPAC Name5-chloro-N-ethyl-4-hydroxy-1-iodo-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(Cl)cccc2n(I)c1=O)c1ccccc1
InChIInChI=1S/C18H14ClIN2O3/c1-2-21(11-7-4-3-5-8-11)17(24)15-16(23)14-12(19)9-6-10-13(14)22(20)18(15)25/h3-10,23H,2H2,1H3
InChIKeyXHORZCQQNYIJCU-UHFFFAOYSA-N
XLogP4.23
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.68
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-hydroxy-1-iodo-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-4-hydroxy-1-iodo-2-oxo-N-phenylquinoline-3-carboxamide (CID 90334675) is 5-chloro-N-ethyl-4-hydroxy-1-iodo-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-4-hydroxy-1-iodo-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-4-hydroxy-1-iodo-2-oxo-N-phenylquinoline-3-carboxamide is CCN(C(=O)c1c(O)c2c(Cl)cccc2n(I)c1=O)c1ccccc1.
What is the InChIKey of 5-chloro-N-ethyl-4-hydroxy-1-iodo-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is XHORZCQQNYIJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClIN2O3/c1-2-21(11-7-4-3-5-8-11)17(24)15-16(23)14-12(19)9-6-10-13(14)22(20)18(15)25/h3-10,23H,2H2,1H3.
What are the key properties of 5-chloro-N-ethyl-4-hydroxy-1-iodo-2-oxo-N-phenylquinoline-3-carboxamide?
5-chloro-N-ethyl-4-hydroxy-1-iodo-2-oxo-N-phenylquinoline-3-carboxamide has a molecular weight of 468.68 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-hydroxy-1-iodo-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 90334675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).