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

C26H22N2O4 — CID 14222007

IUPAC[2-oxo-1-(4-phenylmethoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate
SMILESC=CCc1c(OC(C)=O)c2cccnc2n(-c2ccc(OCc3ccccc3)cc2)c1=O
InChIInChI=1S/C26H22N2O4/c1-3-8-23-24(32-18(2)29)22-11-7-16-27-25(22)28(26(23)30)20-12-14-21(15-13-20)31-17-19-9-5-4-6-10-19/h3-7,9-16H,1,8,17H2,2H3
InChIKeyYJWSZCPIEVKMTK-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.62
Rot. Bonds7

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

[2-oxo-1-(4-phenylmethoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate (PubChem CID 14222007) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is [2-oxo-1-(4-phenylmethoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate.

Molecular Properties

Compound Name[2-oxo-1-(4-phenylmethoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate
PubChem CID14222007
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name[2-oxo-1-(4-phenylmethoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate
SMILESC=CCc1c(OC(C)=O)c2cccnc2n(-c2ccc(OCc3ccccc3)cc2)c1=O
InChIInChI=1S/C26H22N2O4/c1-3-8-23-24(32-18(2)29)22-11-7-16-27-25(22)28(26(23)30)20-12-14-21(15-13-20)31-17-19-9-5-4-6-10-19/h3-7,9-16H,1,8,17H2,2H3
InChIKeyYJWSZCPIEVKMTK-UHFFFAOYSA-N
XLogP4.62
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.62
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 [2-oxo-1-(4-phenylmethoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate?
The IUPAC name of [2-oxo-1-(4-phenylmethoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate (CID 14222007) is [2-oxo-1-(4-phenylmethoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate.
What is the SMILES notation for [2-oxo-1-(4-phenylmethoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate?
The canonical SMILES for [2-oxo-1-(4-phenylmethoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate is C=CCc1c(OC(C)=O)c2cccnc2n(-c2ccc(OCc3ccccc3)cc2)c1=O.
What is the InChIKey of [2-oxo-1-(4-phenylmethoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate?
The InChIKey is YJWSZCPIEVKMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-3-8-23-24(32-18(2)29)22-11-7-16-27-25(22)28(26(23)30)20-12-14-21(15-13-20)31-17-19-9-5-4-6-10-19/h3-7,9-16H,1,8,17H2,2H3.
What are the key properties of [2-oxo-1-(4-phenylmethoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate?
[2-oxo-1-(4-phenylmethoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate has a molecular weight of 426.47 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-1-(4-phenylmethoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate is sourced from PubChem (CID 14222007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).