ethyl 4-(2-thiophen-2-ylquinazolin-4-yl)piperazine-1-carboxylate

C19H20N4O2S — CID 2575865

IUPACethyl 4-(2-thiophen-2-ylquinazolin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C19H20N4O2S/c1-2-25-19(24)23-11-9-22(10-12-23)18-14-6-3-4-7-15(14)20-17(21-18)16-8-5-13-26-16/h3-8,13H,2,9-12H2,1H3
InChIKeyDCPQZEDTFBGXDX-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.64
Rot. Bonds3

About ethyl 4-(2-thiophen-2-ylquinazolin-4-yl)piperazine-1-carboxylate

ethyl 4-(2-thiophen-2-ylquinazolin-4-yl)piperazine-1-carboxylate (PubChem CID 2575865) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is ethyl 4-(2-thiophen-2-ylquinazolin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-thiophen-2-ylquinazolin-4-yl)piperazine-1-carboxylate
PubChem CID2575865
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Nameethyl 4-(2-thiophen-2-ylquinazolin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C19H20N4O2S/c1-2-25-19(24)23-11-9-22(10-12-23)18-14-6-3-4-7-15(14)20-17(21-18)16-8-5-13-26-16/h3-8,13H,2,9-12H2,1H3
InChIKeyDCPQZEDTFBGXDX-UHFFFAOYSA-N
XLogP3.64
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-thiophen-2-ylquinazolin-4-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-thiophen-2-ylquinazolin-4-yl)piperazine-1-carboxylate (CID 2575865) is ethyl 4-(2-thiophen-2-ylquinazolin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-thiophen-2-ylquinazolin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-thiophen-2-ylquinazolin-4-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1.
What is the InChIKey of ethyl 4-(2-thiophen-2-ylquinazolin-4-yl)piperazine-1-carboxylate?
The InChIKey is DCPQZEDTFBGXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-2-25-19(24)23-11-9-22(10-12-23)18-14-6-3-4-7-15(14)20-17(21-18)16-8-5-13-26-16/h3-8,13H,2,9-12H2,1H3.
What are the key properties of ethyl 4-(2-thiophen-2-ylquinazolin-4-yl)piperazine-1-carboxylate?
ethyl 4-(2-thiophen-2-ylquinazolin-4-yl)piperazine-1-carboxylate has a molecular weight of 368.46 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-thiophen-2-ylquinazolin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 2575865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).