ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,7-naphthyridine-3-carboxylate

C20H20N4O4S — CID 59699583

IUPACethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N2CCN(C(=O)c3cccs3)CC2)c2ccncc2[nH]c1=O
InChIInChI=1S/C20H20N4O4S/c1-2-28-20(27)16-17(13-5-6-21-12-14(13)22-18(16)25)23-7-9-24(10-8-23)19(26)15-4-3-11-29-15/h3-6,11-12H,2,7-10H2,1H3,(H,22,25)
InChIKeyPREBQXXUTOFTMM-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.12
Rot. Bonds4

About ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,7-naphthyridine-3-carboxylate

ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,7-naphthyridine-3-carboxylate (PubChem CID 59699583) 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-1,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,7-naphthyridine-3-carboxylate
PubChem CID59699583
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Nameethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,7-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N2CCN(C(=O)c3cccs3)CC2)c2ccncc2[nH]c1=O
InChIInChI=1S/C20H20N4O4S/c1-2-28-20(27)16-17(13-5-6-21-12-14(13)22-18(16)25)23-7-9-24(10-8-23)19(26)15-4-3-11-29-15/h3-6,11-12H,2,7-10H2,1H3,(H,22,25)
InChIKeyPREBQXXUTOFTMM-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-1,7-naphthyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,7-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,7-naphthyridine-3-carboxylate (CID 59699583) is ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,7-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,7-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,7-naphthyridine-3-carboxylate is CCOC(=O)c1c(N2CCN(C(=O)c3cccs3)CC2)c2ccncc2[nH]c1=O.
What is the InChIKey of ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,7-naphthyridine-3-carboxylate?
The InChIKey is PREBQXXUTOFTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-2-28-20(27)16-17(13-5-6-21-12-14(13)22-18(16)25)23-7-9-24(10-8-23)19(26)15-4-3-11-29-15/h3-6,11-12H,2,7-10H2,1H3,(H,22,25).
What are the key properties of ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,7-naphthyridine-3-carboxylate?
ethyl 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1H-1,7-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-1,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 59699583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).