ethyl 4-(4-phenylquinazolin-2-yl)piperazine-1-carboxylate

C21H22N4O2 — CID 3744606

IUPACethyl 4-(4-phenylquinazolin-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C21H22N4O2/c1-2-27-21(26)25-14-12-24(13-15-25)20-22-18-11-7-6-10-17(18)19(23-20)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyZPTVCTZZPHMRHB-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.58
Rot. Bonds3

About ethyl 4-(4-phenylquinazolin-2-yl)piperazine-1-carboxylate

ethyl 4-(4-phenylquinazolin-2-yl)piperazine-1-carboxylate (PubChem CID 3744606) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 4-(4-phenylquinazolin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-phenylquinazolin-2-yl)piperazine-1-carboxylate
PubChem CID3744606
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Nameethyl 4-(4-phenylquinazolin-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C21H22N4O2/c1-2-27-21(26)25-14-12-24(13-15-25)20-22-18-11-7-6-10-17(18)19(23-20)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyZPTVCTZZPHMRHB-UHFFFAOYSA-N
XLogP3.58
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-phenylquinazolin-2-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-phenylquinazolin-2-yl)piperazine-1-carboxylate (CID 3744606) is ethyl 4-(4-phenylquinazolin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-phenylquinazolin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-phenylquinazolin-2-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1.
What is the InChIKey of ethyl 4-(4-phenylquinazolin-2-yl)piperazine-1-carboxylate?
The InChIKey is ZPTVCTZZPHMRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-27-21(26)25-14-12-24(13-15-25)20-22-18-11-7-6-10-17(18)19(23-20)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3.
What are the key properties of ethyl 4-(4-phenylquinazolin-2-yl)piperazine-1-carboxylate?
ethyl 4-(4-phenylquinazolin-2-yl)piperazine-1-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-phenylquinazolin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 3744606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).