ethyl 1-cyclopropyl-7-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate

C20H19FN4O6 — CID 22167225

IUPACethyl 1-cyclopropyl-7-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2nc(C3C(=O)N(C)C(=O)N(C)C3=O)c(F)cc2c1=O
InChIInChI=1S/C20H19FN4O6/c1-4-31-19(29)11-8-25(9-5-6-9)16-10(15(11)26)7-12(21)14(22-16)13-17(27)23(2)20(30)24(3)18(13)28/h7-9,13H,4-6H2,1-3H3
InChIKeyUWPHCQAPJCPGGA-UHFFFAOYSA-N
MW430.39 g/mol
LogP1.18
Rot. Bonds4

About ethyl 1-cyclopropyl-7-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 1-cyclopropyl-7-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 22167225) has the molecular formula C20H19FN4O6 and a molecular weight of 430.39 g/mol. Its IUPAC name is ethyl 1-cyclopropyl-7-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopropyl-7-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID22167225
Molecular FormulaC20H19FN4O6
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC Nameethyl 1-cyclopropyl-7-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2nc(C3C(=O)N(C)C(=O)N(C)C3=O)c(F)cc2c1=O
InChIInChI=1S/C20H19FN4O6/c1-4-31-19(29)11-8-25(9-5-6-9)16-10(15(11)26)7-12(21)14(22-16)13-17(27)23(2)20(30)24(3)18(13)28/h7-9,13H,4-6H2,1-3H3
InChIKeyUWPHCQAPJCPGGA-UHFFFAOYSA-N
XLogP1.18
TPSA118.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 1-cyclopropyl-7-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-cyclopropyl-7,8,9-trifluoro-4-oxobenzo[b][1,8]naphthyridine-3-carboxylate
CID 18549164
ethyl 1-cyclopropyl-6,8-difluoro-7-iodo-4-oxoquinoline-3-carboxylate
CID 10669733
ethyl 8-bromo-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 11046932
ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 46947192
ethyl 8-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 18333191
ethyl 2-chloro-8-cyclopropyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 54383342
ethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 19371459
ethyl 1-cyclopropyl-6-fluoro-7-[(3S,4R)-3-fluoro-4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 22837827
ethyl 1-cyclopropyl-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxoquinoline-3-carboxylate
CID 11724246
ethyl 1-cyclopropyl-6-fluoro-7-[(E)-3-hydroxyprop-1-enyl]-4-oxoquinoline-3-carboxylate
CID 10065267
ethyl 8-cyclopropyl-2-ethylsulfanyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 54392198
ethyl 15-cyclopropyl-21-fluoro-10-methyl-18-oxo-2,10,12,15-tetrazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),2,4,6,8,11,13,16,19-nonaene-17-carboxylate
CID 25068275

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopropyl-7-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-cyclopropyl-7-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate (CID 22167225) is ethyl 1-cyclopropyl-7-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-cyclopropyl-7-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-cyclopropyl-7-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(C2CC2)c2nc(C3C(=O)N(C)C(=O)N(C)C3=O)c(F)cc2c1=O.
What is the InChIKey of ethyl 1-cyclopropyl-7-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is UWPHCQAPJCPGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O6/c1-4-31-19(29)11-8-25(9-5-6-9)16-10(15(11)26)7-12(21)14(22-16)13-17(27)23(2)20(30)24(3)18(13)28/h7-9,13H,4-6H2,1-3H3.
What are the key properties of ethyl 1-cyclopropyl-7-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 1-cyclopropyl-7-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 430.39 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopropyl-7-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 22167225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).