ethyl 4-amino-2-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylate

C14H15N3O3 — CID 12818621

IUPACethyl 4-amino-2-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylate
SMILESC=CCn1c(=O)c(C(=O)OCC)c(N)c2cccnc21
InChIInChI=1S/C14H15N3O3/c1-3-8-17-12-9(6-5-7-16-12)11(15)10(13(17)18)14(19)20-4-2/h3,5-7H,1,4,8,15H2,2H3
InChIKeyITKSUIQISTXWAB-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.34
Rot. Bonds4

About ethyl 4-amino-2-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylate

ethyl 4-amino-2-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylate (PubChem CID 12818621) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 4-amino-2-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylate
PubChem CID12818621
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Nameethyl 4-amino-2-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylate
SMILESC=CCn1c(=O)c(C(=O)OCC)c(N)c2cccnc21
InChIInChI=1S/C14H15N3O3/c1-3-8-17-12-9(6-5-7-16-12)11(15)10(13(17)18)14(19)20-4-2/h3,5-7H,1,4,8,15H2,2H3
InChIKeyITKSUIQISTXWAB-UHFFFAOYSA-N
XLogP1.34
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
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 ethyl 4-amino-2-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-amino-2-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylate (CID 12818621) is ethyl 4-amino-2-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-amino-2-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylate is C=CCn1c(=O)c(C(=O)OCC)c(N)c2cccnc21.
What is the InChIKey of ethyl 4-amino-2-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is ITKSUIQISTXWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-8-17-12-9(6-5-7-16-12)11(15)10(13(17)18)14(19)20-4-2/h3,5-7H,1,4,8,15H2,2H3.
What are the key properties of ethyl 4-amino-2-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylate?
ethyl 4-amino-2-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 12818621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).