ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C24H26F2N4O3 — CID 67275538

IUPACethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CCc2ccccc2F)c2nc(N3CCC(N)C3)c(F)c(C)c2c1=O
InChIInChI=1S/C24H26F2N4O3/c1-3-33-24(32)17-13-30(10-8-15-6-4-5-7-18(15)25)22-19(21(17)31)14(2)20(26)23(28-22)29-11-9-16(27)12-29/h4-7,13,16H,3,8-12,27H2,1-2H3
InChIKeyILSVFDJUJTUDAT-UHFFFAOYSA-N
MW456.49 g/mol
LogP2.94
Rot. Bonds6

About ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 67275538) has the molecular formula C24H26F2N4O3 and a molecular weight of 456.49 g/mol. Its IUPAC name is ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID67275538
Molecular FormulaC24H26F2N4O3
Molecular Weight456.49 g/mol
Exact Mass456.20
IUPAC Nameethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CCc2ccccc2F)c2nc(N3CCC(N)C3)c(F)c(C)c2c1=O
InChIInChI=1S/C24H26F2N4O3/c1-3-33-24(32)17-13-30(10-8-15-6-4-5-7-18(15)25)22-19(21(17)31)14(2)20(26)23(28-22)29-11-9-16(27)12-29/h4-7,13,16H,3,8-12,27H2,1-2H3
InChIKeyILSVFDJUJTUDAT-UHFFFAOYSA-N
XLogP2.94
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate with MolForge

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Related Compounds

7-[(3S)-3-aminopyrrolidin-1-yl]-1-ethyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrate;hydrochloride
CID 70367935
ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate
CID 10862218
ethyl 1-cyclopropyl-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 70367892
7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 23276747
ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-ylmethyl)-1,8-naphthyridine-3-carboxylate
CID 11825886
ethyl 1-[(2-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940937
7-(3-aminopyrrolidin-1-yl)-1-ethyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 70277764
7-(3-aminopyrrolidin-1-yl)-2,5,6-trifluoro-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylic acid
CID 88633556
CID 163919531
CID 163919531
7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 23364549
ethyl 1-(2,4-difluorophenyl)-7-[3-(2,2-dimethylpropylideneamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 19694997
ethyl 5,6,7-trifluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate
CID 167361002

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 67275538) is ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(CCc2ccccc2F)c2nc(N3CCC(N)C3)c(F)c(C)c2c1=O.
What is the InChIKey of ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is ILSVFDJUJTUDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O3/c1-3-33-24(32)17-13-30(10-8-15-6-4-5-7-18(15)25)22-19(21(17)31)14(2)20(26)23(28-22)29-11-9-16(27)12-29/h4-7,13,16H,3,8-12,27H2,1-2H3.
What are the key properties of ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 456.49 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 67275538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).