6-fluoro-9-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione

C20H17F2N5O3 — CID 21294347

IUPAC6-fluoro-9-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione
SMILESCC1CN(c2nc3c(cc2F)c(=O)c2c(=O)[nH]oc2n3-c2ccc(F)cc2)CCN1
InChIInChI=1S/C20H17F2N5O3/c1-10-9-26(7-6-23-10)18-14(22)8-13-16(28)15-19(29)25-30-20(15)27(17(13)24-18)12-4-2-11(21)3-5-12/h2-5,8,10,23H,6-7,9H2,1H3,(H,25,29)
InChIKeyMCDHMVYWFLXMBR-UHFFFAOYSA-N
MW413.38 g/mol
LogP1.90
Rot. Bonds2

About 6-fluoro-9-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione

6-fluoro-9-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione (PubChem CID 21294347) has the molecular formula C20H17F2N5O3 and a molecular weight of 413.38 g/mol. Its IUPAC name is 6-fluoro-9-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione.

Molecular Properties

Compound Name6-fluoro-9-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione
PubChem CID21294347
Molecular FormulaC20H17F2N5O3
Molecular Weight413.38 g/mol
Exact Mass413.13
IUPAC Name6-fluoro-9-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione
SMILESCC1CN(c2nc3c(cc2F)c(=O)c2c(=O)[nH]oc2n3-c2ccc(F)cc2)CCN1
InChIInChI=1S/C20H17F2N5O3/c1-10-9-26(7-6-23-10)18-14(22)8-13-16(28)15-19(29)25-30-20(15)27(17(13)24-18)12-4-2-11(21)3-5-12/h2-5,8,10,23H,6-7,9H2,1H3,(H,25,29)
InChIKeyMCDHMVYWFLXMBR-UHFFFAOYSA-N
XLogP1.90
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-9-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione with MolForge

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Related Compounds

7-(3-amino-4-methylpyrrolidin-1-yl)-6-fluoro-9-(4-fluorophenyl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione
CID 54173423
9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione
CID 21294348
8-chloro-9-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-b]quinoline-3,4-dione
CID 67935532
9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione
CID 21294353
10-cyclopropyl-3-fluoro-2-piperazin-1-yl-7H-pyrido[4,3-b][1,8]naphthyridine-5,6-dione
CID 139810550
1-(3-fluoro-2-pyridinyl)-3-methylpiperazine
CID 62734907
1-(4-fluoro-3-methylphenyl)-3-methylpiperazine
CID 62669735
(3R)-1-(3-fluoro-4-methoxyphenyl)-3-methylpiperazine
CID 67332275
6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid
CID 14041766
2-fluoro-4-[(3R)-3-methylpiperazin-1-yl]aniline
CID 174945496
6-chloro-3-(3-methylpiperazin-1-yl)-1H-quinoxalin-2-one
CID 59995579
ethyl 6-fluoro-1-(5-fluoro-2-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 10669529

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione?
The IUPAC name of 6-fluoro-9-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione (CID 21294347) is 6-fluoro-9-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione.
What is the SMILES notation for 6-fluoro-9-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione?
The canonical SMILES for 6-fluoro-9-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione is CC1CN(c2nc3c(cc2F)c(=O)c2c(=O)[nH]oc2n3-c2ccc(F)cc2)CCN1.
What is the InChIKey of 6-fluoro-9-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione?
The InChIKey is MCDHMVYWFLXMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O3/c1-10-9-26(7-6-23-10)18-14(22)8-13-16(28)15-19(29)25-30-20(15)27(17(13)24-18)12-4-2-11(21)3-5-12/h2-5,8,10,23H,6-7,9H2,1H3,(H,25,29).
What are the key properties of 6-fluoro-9-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione?
6-fluoro-9-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione has a molecular weight of 413.38 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione is sourced from PubChem (CID 21294347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).