ethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate

C18H23FN4O3 — CID 14664850

IUPACethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)n(CC)c2nc(N3CCNCC3)c(F)cc2c1=O
InChIInChI=1S/C18H23FN4O3/c1-4-23-11(3)14(18(25)26-5-2)15(24)12-10-13(19)17(21-16(12)23)22-8-6-20-7-9-22/h10,20H,4-9H2,1-3H3
InChIKeyNVUYTLOLANPTIW-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.45
Rot. Bonds4

About ethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate

ethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate (PubChem CID 14664850) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is ethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
PubChem CID14664850
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Nameethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)n(CC)c2nc(N3CCNCC3)c(F)cc2c1=O
InChIInChI=1S/C18H23FN4O3/c1-4-23-11(3)14(18(25)26-5-2)15(24)12-10-13(19)17(21-16(12)23)22-8-6-20-7-9-22/h10,20H,4-9H2,1-3H3
InChIKeyNVUYTLOLANPTIW-UHFFFAOYSA-N
XLogP1.45
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 46947192
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
ethyl 6-fluoro-1-(5-fluoro-2-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 10669529
9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione
CID 21294348
naphthalen-2-yl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 25228872
ethyl 10-chloro-3-fluoro-5-oxo-2-pyrrolidin-1-yl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate
CID 59516622
ethyl 6-fluoro-8-methoxy-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 10001442
6-fluoro-1-(1-iodoethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 70480613
6-fluoro-4-oxo-7-piperazin-1-yl-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134359952
6-fluoro-4-oxo-7-piperazin-1-yl-1-prop-1-en-2-yl-1,8-naphthyridine-3-carboxylic acid
CID 14041766
ethyl 6-fluoro-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 10249018
1-ethyl-6-fluoro-3-[3-(4-hydroxyphenyl)prop-2-enoyl]-7-piperazin-1-yl-1,8-naphthyridin-4-one
CID 175146812

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate (CID 14664850) is ethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(C)n(CC)c2nc(N3CCNCC3)c(F)cc2c1=O.
What is the InChIKey of ethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate?
The InChIKey is NVUYTLOLANPTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-4-23-11(3)14(18(25)26-5-2)15(24)12-10-13(19)17(21-16(12)23)22-8-6-20-7-9-22/h10,20H,4-9H2,1-3H3.
What are the key properties of ethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate?
ethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate has a molecular weight of 362.41 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 14664850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).