6-[[4-(diethoxyphosphorylmethoxy)-2,6-dimethylphenyl]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C22H29N2O5P — CID 175973673

IUPAC6-[[4-(diethoxyphosphorylmethoxy)-2,6-dimethylphenyl]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCCOP(=O)(COc1cc(C)c(Cc2cnc3c(c2)CCC(=O)N3)c(C)c1)OCC
InChIInChI=1S/C22H29N2O5P/c1-5-28-30(26,29-6-2)14-27-19-9-15(3)20(16(4)10-19)12-17-11-18-7-8-21(25)24-22(18)23-13-17/h9-11,13H,5-8,12,14H2,1-4H3,(H,23,24,25)
InChIKeyZGZPOHYEBHFEPS-UHFFFAOYSA-N
MW432.46 g/mol
LogP4.78
Rot. Bonds9

About 6-[[4-(diethoxyphosphorylmethoxy)-2,6-dimethylphenyl]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-[[4-(diethoxyphosphorylmethoxy)-2,6-dimethylphenyl]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 175973673) has the molecular formula C22H29N2O5P and a molecular weight of 432.46 g/mol. Its IUPAC name is 6-[[4-(diethoxyphosphorylmethoxy)-2,6-dimethylphenyl]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[[4-(diethoxyphosphorylmethoxy)-2,6-dimethylphenyl]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID175973673
Molecular FormulaC22H29N2O5P
Molecular Weight432.46 g/mol
Exact Mass432.18
IUPAC Name6-[[4-(diethoxyphosphorylmethoxy)-2,6-dimethylphenyl]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCCOP(=O)(COc1cc(C)c(Cc2cnc3c(c2)CCC(=O)N3)c(C)c1)OCC
InChIInChI=1S/C22H29N2O5P/c1-5-28-30(26,29-6-2)14-27-19-9-15(3)20(16(4)10-19)12-17-11-18-7-8-21(25)24-22(18)23-13-17/h9-11,13H,5-8,12,14H2,1-4H3,(H,23,24,25)
InChIKeyZGZPOHYEBHFEPS-UHFFFAOYSA-N
XLogP4.78
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[[4-(diethoxyphosphorylmethoxy)-2,6-dimethylphenyl]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(diethoxyphosphorylmethoxy)-2,6-dimethylphenyl]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[[4-(diethoxyphosphorylmethoxy)-2,6-dimethylphenyl]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 175973673) is 6-[[4-(diethoxyphosphorylmethoxy)-2,6-dimethylphenyl]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[[4-(diethoxyphosphorylmethoxy)-2,6-dimethylphenyl]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[[4-(diethoxyphosphorylmethoxy)-2,6-dimethylphenyl]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is CCOP(=O)(COc1cc(C)c(Cc2cnc3c(c2)CCC(=O)N3)c(C)c1)OCC.
What is the InChIKey of 6-[[4-(diethoxyphosphorylmethoxy)-2,6-dimethylphenyl]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is ZGZPOHYEBHFEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N2O5P/c1-5-28-30(26,29-6-2)14-27-19-9-15(3)20(16(4)10-19)12-17-11-18-7-8-21(25)24-22(18)23-13-17/h9-11,13H,5-8,12,14H2,1-4H3,(H,23,24,25).
What are the key properties of 6-[[4-(diethoxyphosphorylmethoxy)-2,6-dimethylphenyl]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-[[4-(diethoxyphosphorylmethoxy)-2,6-dimethylphenyl]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 432.46 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(diethoxyphosphorylmethoxy)-2,6-dimethylphenyl]methyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 175973673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).