ethyl 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylate

C24H28N4O3 — CID 12804054

IUPACethyl 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2cc(N3CCN(Cc4ccccc4)CC3)ncc2c1=O
InChIInChI=1S/C24H28N4O3/c1-3-27-17-20(24(30)31-4-2)23(29)19-15-25-22(14-21(19)27)28-12-10-26(11-13-28)16-18-8-6-5-7-9-18/h5-9,14-15,17H,3-4,10-13,16H2,1-2H3
InChIKeyVUICCIDGFBKZKG-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.92
Rot. Bonds6

About ethyl 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylate

ethyl 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylate (PubChem CID 12804054) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is ethyl 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylate
PubChem CID12804054
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Nameethyl 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2cc(N3CCN(Cc4ccccc4)CC3)ncc2c1=O
InChIInChI=1S/C24H28N4O3/c1-3-27-17-20(24(30)31-4-2)23(29)19-15-25-22(14-21(19)27)28-12-10-26(11-13-28)16-18-8-6-5-7-9-18/h5-9,14-15,17H,3-4,10-13,16H2,1-2H3
InChIKeyVUICCIDGFBKZKG-UHFFFAOYSA-N
XLogP2.92
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylate (CID 12804054) is ethyl 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylate is CCOC(=O)c1cn(CC)c2cc(N3CCN(Cc4ccccc4)CC3)ncc2c1=O.
What is the InChIKey of ethyl 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylate?
The InChIKey is VUICCIDGFBKZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-3-27-17-20(24(30)31-4-2)23(29)19-15-25-22(14-21(19)27)28-12-10-26(11-13-28)16-18-8-6-5-7-9-18/h5-9,14-15,17H,3-4,10-13,16H2,1-2H3.
What are the key properties of ethyl 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylate?
ethyl 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylate has a molecular weight of 420.51 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(4-benzylpiperazin-1-yl)-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 12804054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).