ethyl 6-fluoro-4-oxo-7-[3-(1-phenylethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylate

C23H25FN4O3 — CID 67274860

IUPACethyl 6-fluoro-4-oxo-7-[3-(1-phenylethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2nc(N3CCC(NC(C)c4ccccc4)C3)c(F)cc2c1=O
InChIInChI=1S/C23H25FN4O3/c1-3-31-23(30)18-12-25-21-17(20(18)29)11-19(24)22(27-21)28-10-9-16(13-28)26-14(2)15-7-5-4-6-8-15/h4-8,11-12,14,16,26H,3,9-10,13H2,1-2H3,(H,25,27,29)
InChIKeyOAAZMBJSXOVFBB-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.17
Rot. Bonds6

About ethyl 6-fluoro-4-oxo-7-[3-(1-phenylethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylate

ethyl 6-fluoro-4-oxo-7-[3-(1-phenylethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 67274860) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is ethyl 6-fluoro-4-oxo-7-[3-(1-phenylethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-4-oxo-7-[3-(1-phenylethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylate
PubChem CID67274860
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Nameethyl 6-fluoro-4-oxo-7-[3-(1-phenylethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2nc(N3CCC(NC(C)c4ccccc4)C3)c(F)cc2c1=O
InChIInChI=1S/C23H25FN4O3/c1-3-31-23(30)18-12-25-21-17(20(18)29)11-19(24)22(27-21)28-10-9-16(13-28)26-14(2)15-7-5-4-6-8-15/h4-8,11-12,14,16,26H,3,9-10,13H2,1-2H3,(H,25,27,29)
InChIKeyOAAZMBJSXOVFBB-UHFFFAOYSA-N
XLogP3.17
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 6-fluoro-4-oxo-7-[3-(1-phenylethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate
CID 20519045
7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 10017205
7-[3-[(3-amino-3-oxopropyl)amino]pyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 67274806
ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate
CID 10862218
ethyl 7-(3-acetamidopyrrolidin-1-yl)-6-fluoro-1-(5-fluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 18985315
7-[3-[[[1-(ethoxymethyl)cyclopropyl]amino]methyl]azetidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 146345517
7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 102504450
CID 163919531
CID 163919531
6-acetyl-7-(3-aminopyrrolidin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 67275600
ethyl 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-fluoro-1-(4-methoxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 11385492
7-[3-[[(2S)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-6-fluoro-1-(4-methyl-1,2,5-oxadiazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67784060
ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 46947192

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-4-oxo-7-[3-(1-phenylethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-4-oxo-7-[3-(1-phenylethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylate (CID 67274860) is ethyl 6-fluoro-4-oxo-7-[3-(1-phenylethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-4-oxo-7-[3-(1-phenylethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-4-oxo-7-[3-(1-phenylethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c[nH]c2nc(N3CCC(NC(C)c4ccccc4)C3)c(F)cc2c1=O.
What is the InChIKey of ethyl 6-fluoro-4-oxo-7-[3-(1-phenylethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylate?
The InChIKey is OAAZMBJSXOVFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-3-31-23(30)18-12-25-21-17(20(18)29)11-19(24)22(27-21)28-10-9-16(13-28)26-14(2)15-7-5-4-6-8-15/h4-8,11-12,14,16,26H,3,9-10,13H2,1-2H3,(H,25,27,29).
What are the key properties of ethyl 6-fluoro-4-oxo-7-[3-(1-phenylethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylate?
ethyl 6-fluoro-4-oxo-7-[3-(1-phenylethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 424.48 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-4-oxo-7-[3-(1-phenylethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 67274860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).