1-dimethoxyphosphoryl-N-[(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methyl]ethanamine

C15H21FN3O5P — CID 23298021

IUPAC1-dimethoxyphosphoryl-N-[(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methyl]ethanamine
SMILESCOc1nc2cc(F)cc(CNC(C)P(=O)(OC)OC)c2nc1OC
InChIInChI=1S/C15H21FN3O5P/c1-9(25(20,23-4)24-5)17-8-10-6-11(16)7-12-13(10)19-15(22-3)14(18-12)21-2/h6-7,9,17H,8H2,1-5H3
InChIKeyLTNCYOCKLSOHGK-UHFFFAOYSA-N
MW373.32 g/mol
LogP2.71
Rot. Bonds8

About 1-dimethoxyphosphoryl-N-[(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methyl]ethanamine

1-dimethoxyphosphoryl-N-[(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methyl]ethanamine (PubChem CID 23298021) has the molecular formula C15H21FN3O5P and a molecular weight of 373.32 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-N-[(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-N-[(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methyl]ethanamine
PubChem CID23298021
Molecular FormulaC15H21FN3O5P
Molecular Weight373.32 g/mol
Exact Mass373.12
IUPAC Name1-dimethoxyphosphoryl-N-[(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methyl]ethanamine
SMILESCOc1nc2cc(F)cc(CNC(C)P(=O)(OC)OC)c2nc1OC
InChIInChI=1S/C15H21FN3O5P/c1-9(25(20,23-4)24-5)17-8-10-6-11(16)7-12-13(10)19-15(22-3)14(18-12)21-2/h6-7,9,17H,8H2,1-5H3
InChIKeyLTNCYOCKLSOHGK-UHFFFAOYSA-N
XLogP2.71
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-dimethoxyphosphoryl-N-[(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methyl]ethanamine?
The IUPAC name of 1-dimethoxyphosphoryl-N-[(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methyl]ethanamine (CID 23298021) is 1-dimethoxyphosphoryl-N-[(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-dimethoxyphosphoryl-N-[(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methyl]ethanamine?
The canonical SMILES for 1-dimethoxyphosphoryl-N-[(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methyl]ethanamine is COc1nc2cc(F)cc(CNC(C)P(=O)(OC)OC)c2nc1OC.
What is the InChIKey of 1-dimethoxyphosphoryl-N-[(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methyl]ethanamine?
The InChIKey is LTNCYOCKLSOHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN3O5P/c1-9(25(20,23-4)24-5)17-8-10-6-11(16)7-12-13(10)19-15(22-3)14(18-12)21-2/h6-7,9,17H,8H2,1-5H3.
What are the key properties of 1-dimethoxyphosphoryl-N-[(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methyl]ethanamine?
1-dimethoxyphosphoryl-N-[(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methyl]ethanamine has a molecular weight of 373.32 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-N-[(7-fluoro-2,3-dimethoxyquinoxalin-5-yl)methyl]ethanamine is sourced from PubChem (CID 23298021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).