ethyl 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-1-cyclopropyl-8-fluoro-4-oxo-1,6-naphthyridine-3-carboxylate

C21H25FN4O4 — CID 70205919

IUPACethyl 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-1-cyclopropyl-8-fluoro-4-oxo-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2c(F)c(N3CC4CCOC4(CN)C3)ncc2c1=O
InChIInChI=1S/C21H25FN4O4/c1-2-29-20(28)15-9-26(13-3-4-13)17-14(18(15)27)7-24-19(16(17)22)25-8-12-5-6-30-21(12,10-23)11-25/h7,9,12-13H,2-6,8,10-11,23H2,1H3
InChIKeyMQPLUXRQXHVTNE-UHFFFAOYSA-N
MW416.45 g/mol
LogP1.60
Rot. Bonds5

About ethyl 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-1-cyclopropyl-8-fluoro-4-oxo-1,6-naphthyridine-3-carboxylate

ethyl 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-1-cyclopropyl-8-fluoro-4-oxo-1,6-naphthyridine-3-carboxylate (PubChem CID 70205919) has the molecular formula C21H25FN4O4 and a molecular weight of 416.45 g/mol. Its IUPAC name is ethyl 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-1-cyclopropyl-8-fluoro-4-oxo-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-1-cyclopropyl-8-fluoro-4-oxo-1,6-naphthyridine-3-carboxylate
PubChem CID70205919
Molecular FormulaC21H25FN4O4
Molecular Weight416.45 g/mol
Exact Mass416.19
IUPAC Nameethyl 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-1-cyclopropyl-8-fluoro-4-oxo-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(C2CC2)c2c(F)c(N3CC4CCOC4(CN)C3)ncc2c1=O
InChIInChI=1S/C21H25FN4O4/c1-2-29-20(28)15-9-26(13-3-4-13)17-14(18(15)27)7-24-19(16(17)22)25-8-12-5-6-30-21(12,10-23)11-25/h7,9,12-13H,2-6,8,10-11,23H2,1H3
InChIKeyMQPLUXRQXHVTNE-UHFFFAOYSA-N
XLogP1.60
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-1-cyclopropyl-8-fluoro-4-oxo-1,6-naphthyridine-3-carboxylate with MolForge

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Related Compounds

prop-2-enyl 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylate
CID 70204660
[7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-8-chloro-1-cyclopropyl-5-methyl-4-oxo-1,6-naphthyridin-3-yl] hydrogen carbonate
CID 70109985
[7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridin-3-yl] hydrogen carbonate;hydrochloride
CID 67796044
ethyl 1-cyclopropyl-6,8-difluoro-7-iodo-4-oxoquinoline-3-carboxylate
CID 10669733
7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-6,8-difluoro-1-(2-fluorocyclopropyl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 67805941
7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 67726948
diethyl 1-cyclopropyl-5,7,8-trifluoro-4-oxoquinoline-3,6-dicarboxylate
CID 10524013
[7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl] hydrogen carbonate
CID 70109366
[7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-6,8-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinolin-3-yl] hydrogen carbonate;hydrochloride
CID 67794470
ethyl 8-bromo-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 11046932
ethyl 1-cyclopropyl-7,8-difluoro-6-nitro-4-oxoquinoline-3-carboxylate
CID 139840412
[7-[6a-(ethylaminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinolin-3-yl] hydrogen carbonate;hydrochloride
CID 70112309

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-1-cyclopropyl-8-fluoro-4-oxo-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-1-cyclopropyl-8-fluoro-4-oxo-1,6-naphthyridine-3-carboxylate (CID 70205919) is ethyl 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-1-cyclopropyl-8-fluoro-4-oxo-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-1-cyclopropyl-8-fluoro-4-oxo-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-1-cyclopropyl-8-fluoro-4-oxo-1,6-naphthyridine-3-carboxylate is CCOC(=O)c1cn(C2CC2)c2c(F)c(N3CC4CCOC4(CN)C3)ncc2c1=O.
What is the InChIKey of ethyl 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-1-cyclopropyl-8-fluoro-4-oxo-1,6-naphthyridine-3-carboxylate?
The InChIKey is MQPLUXRQXHVTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O4/c1-2-29-20(28)15-9-26(13-3-4-13)17-14(18(15)27)7-24-19(16(17)22)25-8-12-5-6-30-21(12,10-23)11-25/h7,9,12-13H,2-6,8,10-11,23H2,1H3.
What are the key properties of ethyl 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-1-cyclopropyl-8-fluoro-4-oxo-1,6-naphthyridine-3-carboxylate?
ethyl 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-1-cyclopropyl-8-fluoro-4-oxo-1,6-naphthyridine-3-carboxylate has a molecular weight of 416.45 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-1-cyclopropyl-8-fluoro-4-oxo-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 70205919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).