2-diethoxyphosphoryl-7-(2-methylprop-1-enyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid

C17H25N2O5P — CID 175482320

IUPAC2-diethoxyphosphoryl-7-(2-methylprop-1-enyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
SMILESCCOP(=O)(OCC)c1ccc2c(n1)CC(C=C(C)C)N(C(=O)O)C2
InChIInChI=1S/C17H25N2O5P/c1-5-23-25(22,24-6-2)16-8-7-13-11-19(17(20)21)14(9-12(3)4)10-15(13)18-16/h7-9,14H,5-6,10-11H2,1-4H3,(H,20,21)
InChIKeyYVYYOSJNKSNFPO-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.34
Rot. Bonds6

About 2-diethoxyphosphoryl-7-(2-methylprop-1-enyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid

2-diethoxyphosphoryl-7-(2-methylprop-1-enyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid (PubChem CID 175482320) has the molecular formula C17H25N2O5P and a molecular weight of 368.37 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-7-(2-methylprop-1-enyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-diethoxyphosphoryl-7-(2-methylprop-1-enyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
PubChem CID175482320
Molecular FormulaC17H25N2O5P
Molecular Weight368.37 g/mol
Exact Mass368.15
IUPAC Name2-diethoxyphosphoryl-7-(2-methylprop-1-enyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
SMILESCCOP(=O)(OCC)c1ccc2c(n1)CC(C=C(C)C)N(C(=O)O)C2
InChIInChI=1S/C17H25N2O5P/c1-5-23-25(22,24-6-2)16-8-7-13-11-19(17(20)21)14(9-12(3)4)10-15(13)18-16/h7-9,14H,5-6,10-11H2,1-4H3,(H,20,21)
InChIKeyYVYYOSJNKSNFPO-UHFFFAOYSA-N
XLogP3.34
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-7-(2-methylprop-1-enyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
The IUPAC name of 2-diethoxyphosphoryl-7-(2-methylprop-1-enyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid (CID 175482320) is 2-diethoxyphosphoryl-7-(2-methylprop-1-enyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid.
What is the SMILES notation for 2-diethoxyphosphoryl-7-(2-methylprop-1-enyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
The canonical SMILES for 2-diethoxyphosphoryl-7-(2-methylprop-1-enyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid is CCOP(=O)(OCC)c1ccc2c(n1)CC(C=C(C)C)N(C(=O)O)C2.
What is the InChIKey of 2-diethoxyphosphoryl-7-(2-methylprop-1-enyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
The InChIKey is YVYYOSJNKSNFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N2O5P/c1-5-23-25(22,24-6-2)16-8-7-13-11-19(17(20)21)14(9-12(3)4)10-15(13)18-16/h7-9,14H,5-6,10-11H2,1-4H3,(H,20,21).
What are the key properties of 2-diethoxyphosphoryl-7-(2-methylprop-1-enyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
2-diethoxyphosphoryl-7-(2-methylprop-1-enyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid has a molecular weight of 368.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-7-(2-methylprop-1-enyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid is sourced from PubChem (CID 175482320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).