1-diphenylphosphoryl-2H-quinoline-3-carboxylic acid

C22H18NO3P — CID 162787885

IUPAC1-diphenylphosphoryl-2H-quinoline-3-carboxylic acid
SMILESO=C(O)C1=Cc2ccccc2N(P(=O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H18NO3P/c24-22(25)18-15-17-9-7-8-14-21(17)23(16-18)27(26,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-15H,16H2,(H,24,25)
InChIKeyADJUVPYAJDYMFN-UHFFFAOYSA-N
MW375.36 g/mol
LogP3.90
Rot. Bonds4

About 1-diphenylphosphoryl-2H-quinoline-3-carboxylic acid

1-diphenylphosphoryl-2H-quinoline-3-carboxylic acid (PubChem CID 162787885) has the molecular formula C22H18NO3P and a molecular weight of 375.36 g/mol. Its IUPAC name is 1-diphenylphosphoryl-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-diphenylphosphoryl-2H-quinoline-3-carboxylic acid
PubChem CID162787885
Molecular FormulaC22H18NO3P
Molecular Weight375.36 g/mol
Exact Mass375.10
IUPAC Name1-diphenylphosphoryl-2H-quinoline-3-carboxylic acid
SMILESO=C(O)C1=Cc2ccccc2N(P(=O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H18NO3P/c24-22(25)18-15-17-9-7-8-14-21(17)23(16-18)27(26,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-15H,16H2,(H,24,25)
InChIKeyADJUVPYAJDYMFN-UHFFFAOYSA-N
XLogP3.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-diphenylphosphoryl-2H-quinoline-3-carboxylic acid (CID 162787885) is 1-diphenylphosphoryl-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-diphenylphosphoryl-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-diphenylphosphoryl-2H-quinoline-3-carboxylic acid is O=C(O)C1=Cc2ccccc2N(P(=O)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-diphenylphosphoryl-2H-quinoline-3-carboxylic acid?
The InChIKey is ADJUVPYAJDYMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18NO3P/c24-22(25)18-15-17-9-7-8-14-21(17)23(16-18)27(26,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-15H,16H2,(H,24,25).
What are the key properties of 1-diphenylphosphoryl-2H-quinoline-3-carboxylic acid?
1-diphenylphosphoryl-2H-quinoline-3-carboxylic acid has a molecular weight of 375.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 162787885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).