ethyl 4-[2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate

C21H21FN4O2 — CID 6617101

IUPACethyl 4-[2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(-c3ccccc3F)nc3ccccc23)CC1
InChIInChI=1S/C21H21FN4O2/c1-2-28-21(27)26-13-11-25(12-14-26)20-16-8-4-6-10-18(16)23-19(24-20)15-7-3-5-9-17(15)22/h3-10H,2,11-14H2,1H3
InChIKeyOVBIOEZAEONODP-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.71
Rot. Bonds3

About ethyl 4-[2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate

ethyl 4-[2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate (PubChem CID 6617101) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is ethyl 4-[2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate
PubChem CID6617101
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Nameethyl 4-[2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(-c3ccccc3F)nc3ccccc23)CC1
InChIInChI=1S/C21H21FN4O2/c1-2-28-21(27)26-13-11-25(12-14-26)20-16-8-4-6-10-18(16)23-19(24-20)15-7-3-5-9-17(15)22/h3-10H,2,11-14H2,1H3
InChIKeyOVBIOEZAEONODP-UHFFFAOYSA-N
XLogP3.71
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate (CID 6617101) is ethyl 4-[2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(-c3ccccc3F)nc3ccccc23)CC1.
What is the InChIKey of ethyl 4-[2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate?
The InChIKey is OVBIOEZAEONODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-2-28-21(27)26-13-11-25(12-14-26)20-16-8-4-6-10-18(16)23-19(24-20)15-7-3-5-9-17(15)22/h3-10H,2,11-14H2,1H3.
What are the key properties of ethyl 4-[2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate?
ethyl 4-[2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate has a molecular weight of 380.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-fluorophenyl)quinazolin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 6617101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).