(3-methylquinoxalin-2-yl)methyl-triphenylphosphanium chloride

C28H24ClN2P — CID 90016889

IUPAC(3-methylquinoxalin-2-yl)methyl-triphenylphosphanium chloride
SMILESCc1nc2ccccc2nc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C28H24N2P.ClH/c1-22-28(30-27-20-12-11-19-26(27)29-22)21-31(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25;/h2-20H,21H2,1H3;1H/q+1;/p-1
InChIKeyUXJBKOYIPZZEEU-UHFFFAOYSA-M
MW454.94 g/mol
LogP2.44
Rot. Bonds5

About (3-methylquinoxalin-2-yl)methyl-triphenylphosphanium chloride

(3-methylquinoxalin-2-yl)methyl-triphenylphosphanium chloride (PubChem CID 90016889) has the molecular formula C28H24ClN2P and a molecular weight of 454.94 g/mol. Its IUPAC name is (3-methylquinoxalin-2-yl)methyl-triphenylphosphanium chloride.

Molecular Properties

Compound Name(3-methylquinoxalin-2-yl)methyl-triphenylphosphanium chloride
PubChem CID90016889
Molecular FormulaC28H24ClN2P
Molecular Weight454.94 g/mol
Exact Mass454.14
IUPAC Name(3-methylquinoxalin-2-yl)methyl-triphenylphosphanium chloride
SMILESCc1nc2ccccc2nc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C28H24N2P.ClH/c1-22-28(30-27-20-12-11-19-26(27)29-22)21-31(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25;/h2-20H,21H2,1H3;1H/q+1;/p-1
InChIKeyUXJBKOYIPZZEEU-UHFFFAOYSA-M
XLogP2.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.94
LogP ≤ 52.44
H-Bond Donors ≤ 50
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 (3-methylquinoxalin-2-yl)methyl-triphenylphosphanium chloride?
The IUPAC name of (3-methylquinoxalin-2-yl)methyl-triphenylphosphanium chloride (CID 90016889) is (3-methylquinoxalin-2-yl)methyl-triphenylphosphanium chloride.
What is the SMILES notation for (3-methylquinoxalin-2-yl)methyl-triphenylphosphanium chloride?
The canonical SMILES for (3-methylquinoxalin-2-yl)methyl-triphenylphosphanium chloride is Cc1nc2ccccc2nc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of (3-methylquinoxalin-2-yl)methyl-triphenylphosphanium chloride?
The InChIKey is UXJBKOYIPZZEEU-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H24N2P.ClH/c1-22-28(30-27-20-12-11-19-26(27)29-22)21-31(23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25;/h2-20H,21H2,1H3;1H/q+1;/p-1.
What are the key properties of (3-methylquinoxalin-2-yl)methyl-triphenylphosphanium chloride?
(3-methylquinoxalin-2-yl)methyl-triphenylphosphanium chloride has a molecular weight of 454.94 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylquinoxalin-2-yl)methyl-triphenylphosphanium chloride is sourced from PubChem (CID 90016889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).