[1-(3-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate

C20H18N2O4 — CID 14222005

IUPAC[1-(3-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate
SMILESC=CCc1c(OC(C)=O)c2cccnc2n(-c2cccc(OC)c2)c1=O
InChIInChI=1S/C20H18N2O4/c1-4-7-17-18(26-13(2)23)16-10-6-11-21-19(16)22(20(17)24)14-8-5-9-15(12-14)25-3/h4-6,8-12H,1,7H2,2-3H3
InChIKeyUAFIVMCBARWLAD-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.05
Rot. Bonds5

About [1-(3-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate

[1-(3-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate (PubChem CID 14222005) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate
PubChem CID14222005
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name[1-(3-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate
SMILESC=CCc1c(OC(C)=O)c2cccnc2n(-c2cccc(OC)c2)c1=O
InChIInChI=1S/C20H18N2O4/c1-4-7-17-18(26-13(2)23)16-10-6-11-21-19(16)22(20(17)24)14-8-5-9-15(12-14)25-3/h4-6,8-12H,1,7H2,2-3H3
InChIKeyUAFIVMCBARWLAD-UHFFFAOYSA-N
XLogP3.05
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-(3-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate 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 [1-(3-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate?
The IUPAC name of [1-(3-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate (CID 14222005) is [1-(3-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate.
What is the SMILES notation for [1-(3-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate?
The canonical SMILES for [1-(3-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate is C=CCc1c(OC(C)=O)c2cccnc2n(-c2cccc(OC)c2)c1=O.
What is the InChIKey of [1-(3-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate?
The InChIKey is UAFIVMCBARWLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-4-7-17-18(26-13(2)23)16-10-6-11-21-19(16)22(20(17)24)14-8-5-9-15(12-14)25-3/h4-6,8-12H,1,7H2,2-3H3.
What are the key properties of [1-(3-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate?
[1-(3-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate has a molecular weight of 350.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate is sourced from PubChem (CID 14222005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).