7-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

C18H19FN4O4 — CID 13402027

IUPAC7-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESC=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(N(C)C(C)=O)C3)nc21
InChIInChI=1S/C18H19FN4O4/c1-4-22-9-13(18(26)27)15(25)12-7-14(19)17(20-16(12)22)23-6-5-11(8-23)21(3)10(2)24/h4,7,9,11H,1,5-6,8H2,2-3H3,(H,26,27)
InChIKeyQNDJVDFFSJVFSX-UHFFFAOYSA-N
MW374.37 g/mol
LogP1.39
Rot. Bonds4

About 7-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 13402027) has the molecular formula C18H19FN4O4 and a molecular weight of 374.37 g/mol. Its IUPAC name is 7-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID13402027
Molecular FormulaC18H19FN4O4
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name7-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESC=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(N(C)C(C)=O)C3)nc21
InChIInChI=1S/C18H19FN4O4/c1-4-22-9-13(18(26)27)15(25)12-7-14(19)17(20-16(12)22)23-6-5-11(8-23)21(3)10(2)24/h4,7,9,11H,1,5-6,8H2,2-3H3,(H,26,27)
InChIKeyQNDJVDFFSJVFSX-UHFFFAOYSA-N
XLogP1.39
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(3R)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10252980
1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid
CID 15231291
[1-[6-carboxy-3-fluoro-8-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]pyrrolidin-3-yl]azanium chloride
CID 11732657
7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(2-methylpyrazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 11761360
7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70285331
1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 13471156
7-(3-aminopyrrolidin-1-yl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 11134455
7-[3-(dimethylaminooxy)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435116
7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 87098565
7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70383090
7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-thiophen-2-yl-1,8-naphthyridine-3-carboxylic acid
CID 10971631
6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid
CID 14041766

Frequently Asked Questions

What is the IUPAC name of 7-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 13402027) is 7-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is C=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(N(C)C(C)=O)C3)nc21.
What is the InChIKey of 7-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is QNDJVDFFSJVFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4/c1-4-22-9-13(18(26)27)15(25)12-7-14(19)17(20-16(12)22)23-6-5-11(8-23)21(3)10(2)24/h4,7,9,11H,1,5-6,8H2,2-3H3,(H,26,27).
What are the key properties of 7-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 374.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 13402027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).