ethyl 7-(4-acetylpiperazin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate

C17H19FN4O4 — CID 13268404

IUPACethyl 7-(4-acetylpiperazin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2nc(N3CCN(C(C)=O)CC3)c(F)cc2c1=O
InChIInChI=1S/C17H19FN4O4/c1-3-26-17(25)12-9-19-15-11(14(12)24)8-13(18)16(20-15)22-6-4-21(5-7-22)10(2)23/h8-9H,3-7H2,1-2H3,(H,19,20,24)
InChIKeyYAQCNXDPGPHOFM-UHFFFAOYSA-N
MW362.36 g/mol
LogP0.91
Rot. Bonds3

About ethyl 7-(4-acetylpiperazin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate

ethyl 7-(4-acetylpiperazin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 13268404) has the molecular formula C17H19FN4O4 and a molecular weight of 362.36 g/mol. Its IUPAC name is ethyl 7-(4-acetylpiperazin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-(4-acetylpiperazin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate
PubChem CID13268404
Molecular FormulaC17H19FN4O4
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Nameethyl 7-(4-acetylpiperazin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2nc(N3CCN(C(C)=O)CC3)c(F)cc2c1=O
InChIInChI=1S/C17H19FN4O4/c1-3-26-17(25)12-9-19-15-11(14(12)24)8-13(18)16(20-15)22-6-4-21(5-7-22)10(2)23/h8-9H,3-7H2,1-2H3,(H,19,20,24)
InChIKeyYAQCNXDPGPHOFM-UHFFFAOYSA-N
XLogP0.91
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-(4-acetylpiperazin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-(4-acetylpiperazin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate (CID 13268404) is ethyl 7-(4-acetylpiperazin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-(4-acetylpiperazin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-(4-acetylpiperazin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c[nH]c2nc(N3CCN(C(C)=O)CC3)c(F)cc2c1=O.
What is the InChIKey of ethyl 7-(4-acetylpiperazin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
The InChIKey is YAQCNXDPGPHOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O4/c1-3-26-17(25)12-9-19-15-11(14(12)24)8-13(18)16(20-15)22-6-4-21(5-7-22)10(2)23/h8-9H,3-7H2,1-2H3,(H,19,20,24).
What are the key properties of ethyl 7-(4-acetylpiperazin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
ethyl 7-(4-acetylpiperazin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 362.36 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(4-acetylpiperazin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 13268404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).