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

C19H23N5O6 — CID 154356871

IUPACethyl 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2nc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])cc2c1=O
InChIInChI=1S/C19H23N5O6/c1-4-21-11-14(19(27)30-5-2)16(26)13-10-15(24(28)29)18(20-17(13)21)23-8-6-22(7-9-23)12(3)25/h10-11H,4-9H2,1-3H3
InChIKeyGNQIMTPFLPCWDY-UHFFFAOYSA-N
MW417.42 g/mol
LogP1.17
Rot. Bonds5

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

ethyl 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 154356871) has the molecular formula C19H23N5O6 and a molecular weight of 417.42 g/mol. Its IUPAC name is ethyl 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID154356871
Molecular FormulaC19H23N5O6
Molecular Weight417.42 g/mol
Exact Mass417.16
IUPAC Nameethyl 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2nc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])cc2c1=O
InChIInChI=1S/C19H23N5O6/c1-4-21-11-14(19(27)30-5-2)16(26)13-10-15(24(28)29)18(20-17(13)21)23-8-6-22(7-9-23)12(3)25/h10-11H,4-9H2,1-3H3
InChIKeyGNQIMTPFLPCWDY-UHFFFAOYSA-N
XLogP1.17
TPSA127.88 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6-amino-1-ethyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxylate
CID 13041126
ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 90120654
ethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 14287951
ethyl 7-ethenyl-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 15636889
ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate
CID 15414746
ethyl 1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-6-iodo-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 70825404
2-oxopropyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3302196
ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+)
CID 20794343
ethyl 8-fluoro-1-methyl-6-nitro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate
CID 11442427
1-ethyl-6-fluoro-4-oxo-7-(4-phenylmethoxycarbonylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid
CID 122676814
(6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid
CID 140944007
ethyl 1-cyclopropyl-7,8-difluoro-6-nitro-4-oxoquinoline-3-carboxylate
CID 139840412

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylate (CID 154356871) is ethyl 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(CC)c2nc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])cc2c1=O.
What is the InChIKey of ethyl 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is GNQIMTPFLPCWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O6/c1-4-21-11-14(19(27)30-5-2)16(26)13-10-15(24(28)29)18(20-17(13)21)23-8-6-22(7-9-23)12(3)25/h10-11H,4-9H2,1-3H3.
What are the key properties of ethyl 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 417.42 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(4-acetylpiperazin-1-yl)-1-ethyl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 154356871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).