5-[4-(diethoxyphosphorylmethyl)phenyl]-1H-1,8-naphthyridin-2-one

C19H21N2O4P — CID 164563801

IUPAC5-[4-(diethoxyphosphorylmethyl)phenyl]-1H-1,8-naphthyridin-2-one
SMILESCCOP(=O)(Cc1ccc(-c2ccnc3[nH]c(=O)ccc23)cc1)OCC
InChIInChI=1S/C19H21N2O4P/c1-3-24-26(23,25-4-2)13-14-5-7-15(8-6-14)16-11-12-20-19-17(16)9-10-18(22)21-19/h5-12H,3-4,13H2,1-2H3,(H,20,21,22)
InChIKeyAHYVJMDVQSPFHL-UHFFFAOYSA-N
MW372.36 g/mol
LogP4.36
Rot. Bonds7

About 5-[4-(diethoxyphosphorylmethyl)phenyl]-1H-1,8-naphthyridin-2-one

5-[4-(diethoxyphosphorylmethyl)phenyl]-1H-1,8-naphthyridin-2-one (PubChem CID 164563801) has the molecular formula C19H21N2O4P and a molecular weight of 372.36 g/mol. Its IUPAC name is 5-[4-(diethoxyphosphorylmethyl)phenyl]-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[4-(diethoxyphosphorylmethyl)phenyl]-1H-1,8-naphthyridin-2-one
PubChem CID164563801
Molecular FormulaC19H21N2O4P
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC Name5-[4-(diethoxyphosphorylmethyl)phenyl]-1H-1,8-naphthyridin-2-one
SMILESCCOP(=O)(Cc1ccc(-c2ccnc3[nH]c(=O)ccc23)cc1)OCC
InChIInChI=1S/C19H21N2O4P/c1-3-24-26(23,25-4-2)13-14-5-7-15(8-6-14)16-11-12-20-19-17(16)9-10-18(22)21-19/h5-12H,3-4,13H2,1-2H3,(H,20,21,22)
InChIKeyAHYVJMDVQSPFHL-UHFFFAOYSA-N
XLogP4.36
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(diethoxyphosphorylmethyl)phenyl]-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[4-(diethoxyphosphorylmethyl)phenyl]-1H-1,8-naphthyridin-2-one (CID 164563801) is 5-[4-(diethoxyphosphorylmethyl)phenyl]-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[4-(diethoxyphosphorylmethyl)phenyl]-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[4-(diethoxyphosphorylmethyl)phenyl]-1H-1,8-naphthyridin-2-one is CCOP(=O)(Cc1ccc(-c2ccnc3[nH]c(=O)ccc23)cc1)OCC.
What is the InChIKey of 5-[4-(diethoxyphosphorylmethyl)phenyl]-1H-1,8-naphthyridin-2-one?
The InChIKey is AHYVJMDVQSPFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N2O4P/c1-3-24-26(23,25-4-2)13-14-5-7-15(8-6-14)16-11-12-20-19-17(16)9-10-18(22)21-19/h5-12H,3-4,13H2,1-2H3,(H,20,21,22).
What are the key properties of 5-[4-(diethoxyphosphorylmethyl)phenyl]-1H-1,8-naphthyridin-2-one?
5-[4-(diethoxyphosphorylmethyl)phenyl]-1H-1,8-naphthyridin-2-one has a molecular weight of 372.36 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(diethoxyphosphorylmethyl)phenyl]-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 164563801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).