ethyl 5-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylfuran-2-carboxylate

C19H20N4O5S — CID 47053917

IUPACethyl 5-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylfuran-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncnc4ccccc34)CC2)o1
InChIInChI=1S/C19H20N4O5S/c1-2-27-19(24)16-7-8-17(28-16)29(25,26)23-11-9-22(10-12-23)18-14-5-3-4-6-15(14)20-13-21-18/h3-8,13H,2,9-12H2,1H3
InChIKeyXGYBCSZCBRQDBJ-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.91
Rot. Bonds5

About ethyl 5-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylfuran-2-carboxylate

ethyl 5-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylfuran-2-carboxylate (PubChem CID 47053917) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is ethyl 5-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylfuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylfuran-2-carboxylate
PubChem CID47053917
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC Nameethyl 5-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylfuran-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncnc4ccccc34)CC2)o1
InChIInChI=1S/C19H20N4O5S/c1-2-27-19(24)16-7-8-17(28-16)29(25,26)23-11-9-22(10-12-23)18-14-5-3-4-6-15(14)20-13-21-18/h3-8,13H,2,9-12H2,1H3
InChIKeyXGYBCSZCBRQDBJ-UHFFFAOYSA-N
XLogP1.91
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 55854470
ethyl 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 55851016
ethyl 5-[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 55961526
4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]quinazoline
CID 17455125
ethyl 5-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 55692395
ethyl 5-[4-(4-bromo-2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 55692469
ethyl 5-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 60508490
ethyl 5-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 46464437
ethyl 3-[[4-(5-carbamoylfuran-2-yl)sulfonylpiperazin-1-yl]methyl]-1-benzofuran-2-carboxylate
CID 55852148
ethyl 5-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 60508886
ethyl 5-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 55851527
ethyl 5-[4-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 55851645

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylfuran-2-carboxylate?
The IUPAC name of ethyl 5-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylfuran-2-carboxylate (CID 47053917) is ethyl 5-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylfuran-2-carboxylate.
What is the SMILES notation for ethyl 5-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylfuran-2-carboxylate?
The canonical SMILES for ethyl 5-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylfuran-2-carboxylate is CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncnc4ccccc34)CC2)o1.
What is the InChIKey of ethyl 5-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylfuran-2-carboxylate?
The InChIKey is XGYBCSZCBRQDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c1-2-27-19(24)16-7-8-17(28-16)29(25,26)23-11-9-22(10-12-23)18-14-5-3-4-6-15(14)20-13-21-18/h3-8,13H,2,9-12H2,1H3.
What are the key properties of ethyl 5-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylfuran-2-carboxylate?
ethyl 5-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylfuran-2-carboxylate has a molecular weight of 416.46 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylfuran-2-carboxylate is sourced from PubChem (CID 47053917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).