ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,5-naphthyridine-3-carboxylate

C20H20N4O4S — CID 59699606

IUPACethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N2CCN(C(=O)c3cccs3)CC2)c2ncccc2[nH]c1=O
InChIInChI=1S/C20H20N4O4S/c1-2-28-20(27)15-17(16-13(22-18(15)25)5-3-7-21-16)23-8-10-24(11-9-23)19(26)14-6-4-12-29-14/h3-7,12H,2,8-11H2,1H3,(H,22,25)
InChIKeyVVCBYJUSRWVOSP-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.12
Rot. Bonds4

About ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,5-naphthyridine-3-carboxylate

ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,5-naphthyridine-3-carboxylate (PubChem CID 59699606) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,5-naphthyridine-3-carboxylate
PubChem CID59699606
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Nameethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N2CCN(C(=O)c3cccs3)CC2)c2ncccc2[nH]c1=O
InChIInChI=1S/C20H20N4O4S/c1-2-28-20(27)15-17(16-13(22-18(15)25)5-3-7-21-16)23-8-10-24(11-9-23)19(26)14-6-4-12-29-14/h3-7,12H,2,8-11H2,1H3,(H,22,25)
InChIKeyVVCBYJUSRWVOSP-UHFFFAOYSA-N
XLogP2.12
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,5-naphthyridine-3-carboxylate with MolForge

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Related Compounds

ethyl (5E,6E)-5-ethylidene-2-oxo-6-propylidene-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxylate
CID 143011125
ethyl 2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 133471014
ethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate
CID 113080733
ethyl 1,6-dimethyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane
CID 160776504
ethyl 1-[2-(dimethylamino)ethyl]-6-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate
CID 10163773
ethyl (5E)-1-[(4-fluorophenyl)methyl]-6-methylidene-2-oxo-5-prop-2-enylidene-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxylate
CID 143011212
azane;chloromethane;ethyl 1-[3-(dimethylamino)propyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate
CID 159906364
bromomethylbenzene;ethyl 4-chloro-2-oxo-1H-quinoline-3-carboxylate;ethyl 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinoline-3-carboxylate;piperazin-1-yl(thiophen-2-yl)methanone;tetrafluoride
CID 159885058
ethyl 4-morpholin-4-yl-2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 70596773
N-[2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-quinolin-3-yl]methanesulfonamide
CID 142188075
ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate
CID 108569593
ethyl 1-[(4-methoxyphenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;methane
CID 159752022

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,5-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,5-naphthyridine-3-carboxylate (CID 59699606) is ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1c(N2CCN(C(=O)c3cccs3)CC2)c2ncccc2[nH]c1=O.
What is the InChIKey of ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,5-naphthyridine-3-carboxylate?
The InChIKey is VVCBYJUSRWVOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-2-28-20(27)15-17(16-13(22-18(15)25)5-3-7-21-16)23-8-10-24(11-9-23)19(26)14-6-4-12-29-14/h3-7,12H,2,8-11H2,1H3,(H,22,25).
What are the key properties of ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,5-naphthyridine-3-carboxylate?
ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,5-naphthyridine-3-carboxylate has a molecular weight of 412.47 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 59699606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).