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

C20H18N2O4 — CID 14222006

IUPAC[1-(4-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate
SMILESC=CCc1c(OC(C)=O)c2cccnc2n(-c2ccc(OC)cc2)c1=O
InChIInChI=1S/C20H18N2O4/c1-4-6-17-18(26-13(2)23)16-7-5-12-21-19(16)22(20(17)24)14-8-10-15(25-3)11-9-14/h4-5,7-12H,1,6H2,2-3H3
InChIKeyYJCNNKCOCZDSBR-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.05
Rot. Bonds5

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

[1-(4-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate (PubChem CID 14222006) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate
PubChem CID14222006
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name[1-(4-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate
SMILESC=CCc1c(OC(C)=O)c2cccnc2n(-c2ccc(OC)cc2)c1=O
InChIInChI=1S/C20H18N2O4/c1-4-6-17-18(26-13(2)23)16-7-5-12-21-19(16)22(20(17)24)14-8-10-15(25-3)11-9-14/h4-5,7-12H,1,6H2,2-3H3
InChIKeyYJCNNKCOCZDSBR-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'}

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate?
The IUPAC name of [1-(4-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate (CID 14222006) is [1-(4-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate.
What is the SMILES notation for [1-(4-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate?
The canonical SMILES for [1-(4-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate is C=CCc1c(OC(C)=O)c2cccnc2n(-c2ccc(OC)cc2)c1=O.
What is the InChIKey of [1-(4-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate?
The InChIKey is YJCNNKCOCZDSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-4-6-17-18(26-13(2)23)16-7-5-12-21-19(16)22(20(17)24)14-8-10-15(25-3)11-9-14/h4-5,7-12H,1,6H2,2-3H3.
What are the key properties of [1-(4-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate?
[1-(4-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-(4-methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate is sourced from PubChem (CID 14222006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).