ethyl 1-ethyl-4-oxo-7-piperazin-1-yl-1,6-naphthyridine-3-carboxylate

C17H22N4O3 — CID 12804052

IUPACethyl 1-ethyl-4-oxo-7-piperazin-1-yl-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2cc(N3CCNCC3)ncc2c1=O
InChIInChI=1S/C17H22N4O3/c1-3-20-11-13(17(23)24-4-2)16(22)12-10-19-15(9-14(12)20)21-7-5-18-6-8-21/h9-11,18H,3-8H2,1-2H3
InChIKeyBANLGSHVKPDVON-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.00
Rot. Bonds4

About ethyl 1-ethyl-4-oxo-7-piperazin-1-yl-1,6-naphthyridine-3-carboxylate

ethyl 1-ethyl-4-oxo-7-piperazin-1-yl-1,6-naphthyridine-3-carboxylate (PubChem CID 12804052) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is ethyl 1-ethyl-4-oxo-7-piperazin-1-yl-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-4-oxo-7-piperazin-1-yl-1,6-naphthyridine-3-carboxylate
PubChem CID12804052
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Nameethyl 1-ethyl-4-oxo-7-piperazin-1-yl-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2cc(N3CCNCC3)ncc2c1=O
InChIInChI=1S/C17H22N4O3/c1-3-20-11-13(17(23)24-4-2)16(22)12-10-19-15(9-14(12)20)21-7-5-18-6-8-21/h9-11,18H,3-8H2,1-2H3
InChIKeyBANLGSHVKPDVON-UHFFFAOYSA-N
XLogP1.00
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-4-oxo-7-piperazin-1-yl-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-4-oxo-7-piperazin-1-yl-1,6-naphthyridine-3-carboxylate (CID 12804052) is ethyl 1-ethyl-4-oxo-7-piperazin-1-yl-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-4-oxo-7-piperazin-1-yl-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-4-oxo-7-piperazin-1-yl-1,6-naphthyridine-3-carboxylate is CCOC(=O)c1cn(CC)c2cc(N3CCNCC3)ncc2c1=O.
What is the InChIKey of ethyl 1-ethyl-4-oxo-7-piperazin-1-yl-1,6-naphthyridine-3-carboxylate?
The InChIKey is BANLGSHVKPDVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-20-11-13(17(23)24-4-2)16(22)12-10-19-15(9-14(12)20)21-7-5-18-6-8-21/h9-11,18H,3-8H2,1-2H3.
What are the key properties of ethyl 1-ethyl-4-oxo-7-piperazin-1-yl-1,6-naphthyridine-3-carboxylate?
ethyl 1-ethyl-4-oxo-7-piperazin-1-yl-1,6-naphthyridine-3-carboxylate has a molecular weight of 330.39 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-oxo-7-piperazin-1-yl-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 12804052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).