9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione

C15H16FN5O3 — CID 21294348

IUPAC9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione
SMILESCCn1c2nc(N3CCNCC3)c(F)cc2c(=O)c2c(=O)[nH]oc21
InChIInChI=1S/C15H16FN5O3/c1-2-21-12-8(11(22)10-14(23)19-24-15(10)21)7-9(16)13(18-12)20-5-3-17-4-6-20/h7,17H,2-6H2,1H3,(H,19,23)
InChIKeyVJDZEKVNRVCCSF-UHFFFAOYSA-N
MW333.32 g/mol
LogP0.40
Rot. Bonds2

About 9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione

9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione (PubChem CID 21294348) has the molecular formula C15H16FN5O3 and a molecular weight of 333.32 g/mol. Its IUPAC name is 9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione.

Molecular Properties

Compound Name9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione
PubChem CID21294348
Molecular FormulaC15H16FN5O3
Molecular Weight333.32 g/mol
Exact Mass333.12
IUPAC Name9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione
SMILESCCn1c2nc(N3CCNCC3)c(F)cc2c(=O)c2c(=O)[nH]oc21
InChIInChI=1S/C15H16FN5O3/c1-2-21-12-8(11(22)10-14(23)19-24-15(10)21)7-9(16)13(18-12)20-5-3-17-4-6-20/h7,17H,2-6H2,1H3,(H,19,23)
InChIKeyVJDZEKVNRVCCSF-UHFFFAOYSA-N
XLogP0.40
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione?
The IUPAC name of 9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione (CID 21294348) is 9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione.
What is the SMILES notation for 9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione?
The canonical SMILES for 9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione is CCn1c2nc(N3CCNCC3)c(F)cc2c(=O)c2c(=O)[nH]oc21.
What is the InChIKey of 9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione?
The InChIKey is VJDZEKVNRVCCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O3/c1-2-21-12-8(11(22)10-14(23)19-24-15(10)21)7-9(16)13(18-12)20-5-3-17-4-6-20/h7,17H,2-6H2,1H3,(H,19,23).
What are the key properties of 9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione?
9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione has a molecular weight of 333.32 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione is sourced from PubChem (CID 21294348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).