(5,7-dichloro-2-oxo-1H-quinolin-3-yl)-ethoxyphosphinic acid

C11H10Cl2NO4P — CID 10639537

IUPAC(5,7-dichloro-2-oxo-1H-quinolin-3-yl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)c1cc2c(Cl)cc(Cl)cc2[nH]c1=O
InChIInChI=1S/C11H10Cl2NO4P/c1-2-18-19(16,17)10-5-7-8(13)3-6(12)4-9(7)14-11(10)15/h3-5H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyUGURBSZLQBAFGX-UHFFFAOYSA-N
MW322.08 g/mol
LogP2.68
Rot. Bonds3

About (5,7-dichloro-2-oxo-1H-quinolin-3-yl)-ethoxyphosphinic acid

(5,7-dichloro-2-oxo-1H-quinolin-3-yl)-ethoxyphosphinic acid (PubChem CID 10639537) has the molecular formula C11H10Cl2NO4P and a molecular weight of 322.08 g/mol. Its IUPAC name is (5,7-dichloro-2-oxo-1H-quinolin-3-yl)-ethoxyphosphinic acid.

Molecular Properties

Compound Name(5,7-dichloro-2-oxo-1H-quinolin-3-yl)-ethoxyphosphinic acid
PubChem CID10639537
Molecular FormulaC11H10Cl2NO4P
Molecular Weight322.08 g/mol
Exact Mass320.97
IUPAC Name(5,7-dichloro-2-oxo-1H-quinolin-3-yl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)c1cc2c(Cl)cc(Cl)cc2[nH]c1=O
InChIInChI=1S/C11H10Cl2NO4P/c1-2-18-19(16,17)10-5-7-8(13)3-6(12)4-9(7)14-11(10)15/h3-5H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyUGURBSZLQBAFGX-UHFFFAOYSA-N
XLogP2.68
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.08
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5,7-dichloro-2-oxo-1H-quinolin-3-yl)-ethoxyphosphinic acid?
The IUPAC name of (5,7-dichloro-2-oxo-1H-quinolin-3-yl)-ethoxyphosphinic acid (CID 10639537) is (5,7-dichloro-2-oxo-1H-quinolin-3-yl)-ethoxyphosphinic acid.
What is the SMILES notation for (5,7-dichloro-2-oxo-1H-quinolin-3-yl)-ethoxyphosphinic acid?
The canonical SMILES for (5,7-dichloro-2-oxo-1H-quinolin-3-yl)-ethoxyphosphinic acid is CCOP(=O)(O)c1cc2c(Cl)cc(Cl)cc2[nH]c1=O.
What is the InChIKey of (5,7-dichloro-2-oxo-1H-quinolin-3-yl)-ethoxyphosphinic acid?
The InChIKey is UGURBSZLQBAFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2NO4P/c1-2-18-19(16,17)10-5-7-8(13)3-6(12)4-9(7)14-11(10)15/h3-5H,2H2,1H3,(H,14,15)(H,16,17).
What are the key properties of (5,7-dichloro-2-oxo-1H-quinolin-3-yl)-ethoxyphosphinic acid?
(5,7-dichloro-2-oxo-1H-quinolin-3-yl)-ethoxyphosphinic acid has a molecular weight of 322.08 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dichloro-2-oxo-1H-quinolin-3-yl)-ethoxyphosphinic acid is sourced from PubChem (CID 10639537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).