3-fluoro-9-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydro-[1,3]oxazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid

C17H19FN4O4 — CID 14783908

IUPAC3-fluoro-9-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydro-[1,3]oxazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid
SMILESCC1COc2c(C(=O)O)c(=O)c3cc(F)c(N4CCN(C)CC4)nc3n21
InChIInChI=1S/C17H19FN4O4/c1-9-8-26-16-12(17(24)25)13(23)10-7-11(18)15(19-14(10)22(9)16)21-5-3-20(2)4-6-21/h7,9H,3-6,8H2,1-2H3,(H,24,25)
InChIKeyBQTIRSVLDSAHIO-UHFFFAOYSA-N
MW362.36 g/mol
LogP0.94
Rot. Bonds2

About 3-fluoro-9-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydro-[1,3]oxazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid

3-fluoro-9-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydro-[1,3]oxazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid (PubChem CID 14783908) has the molecular formula C17H19FN4O4 and a molecular weight of 362.36 g/mol. Its IUPAC name is 3-fluoro-9-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydro-[1,3]oxazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-9-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydro-[1,3]oxazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid
PubChem CID14783908
Molecular FormulaC17H19FN4O4
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name3-fluoro-9-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydro-[1,3]oxazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid
SMILESCC1COc2c(C(=O)O)c(=O)c3cc(F)c(N4CCN(C)CC4)nc3n21
InChIInChI=1S/C17H19FN4O4/c1-9-8-26-16-12(17(24)25)13(23)10-7-11(18)15(19-14(10)22(9)16)21-5-3-20(2)4-6-21/h7,9H,3-6,8H2,1-2H3,(H,24,25)
InChIKeyBQTIRSVLDSAHIO-UHFFFAOYSA-N
XLogP0.94
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-fluoro-9-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydro-[1,3]oxazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid with MolForge

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Related Compounds

1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 13471156
1-cyclopropyl-6-fluoro-3-hydroxy-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 22632976
ethyl 3-fluoro-7-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydroimidazo[1,2-a][1,8]naphthyridine-6-carboxylate
CID 14783907
6-fluoro-1-(5-fluoro-2-pyridinyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10340975
3-fluoro-2-(4-methyl-1,4-diazepan-1-yl)-6-(morpholine-4-carbonyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridin-5-one
CID 53379220
(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 69478464
7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 23178753
calcium;acetic acid;7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydride
CID 173158125
1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxypyrido[2,3-d]pyrimidine-2,4-dione
CID 22632892
(Z)-but-2-enedioic acid;(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 174493238
gallium tris((2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate)
CID 51038726
zinc bis((2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate)
CID 71817080

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-9-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydro-[1,3]oxazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid?
The IUPAC name of 3-fluoro-9-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydro-[1,3]oxazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid (CID 14783908) is 3-fluoro-9-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydro-[1,3]oxazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid.
What is the SMILES notation for 3-fluoro-9-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydro-[1,3]oxazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid?
The canonical SMILES for 3-fluoro-9-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydro-[1,3]oxazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid is CC1COc2c(C(=O)O)c(=O)c3cc(F)c(N4CCN(C)CC4)nc3n21.
What is the InChIKey of 3-fluoro-9-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydro-[1,3]oxazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid?
The InChIKey is BQTIRSVLDSAHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O4/c1-9-8-26-16-12(17(24)25)13(23)10-7-11(18)15(19-14(10)22(9)16)21-5-3-20(2)4-6-21/h7,9H,3-6,8H2,1-2H3,(H,24,25).
What are the key properties of 3-fluoro-9-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydro-[1,3]oxazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid?
3-fluoro-9-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydro-[1,3]oxazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid has a molecular weight of 362.36 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-9-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydro-[1,3]oxazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid is sourced from PubChem (CID 14783908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).