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

C22H22FN3O2 — CID 6616664

IUPACethyl 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(-c3ccccc3F)nc3ccccc23)CC1
InChIInChI=1S/C22H22FN3O2/c1-2-28-22(27)15-11-13-26(14-12-15)21-17-8-4-6-10-19(17)24-20(25-21)16-7-3-5-9-18(16)23/h3-10,15H,2,11-14H2,1H3
InChIKeyWMFOTTPKZPKIKN-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.22
Rot. Bonds4

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

ethyl 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxylate (PubChem CID 6616664) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is ethyl 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxylate
PubChem CID6616664
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Nameethyl 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(-c3ccccc3F)nc3ccccc23)CC1
InChIInChI=1S/C22H22FN3O2/c1-2-28-22(27)15-11-13-26(14-12-15)21-17-8-4-6-10-19(17)24-20(25-21)16-7-3-5-9-18(16)23/h3-10,15H,2,11-14H2,1H3
InChIKeyWMFOTTPKZPKIKN-UHFFFAOYSA-N
XLogP4.22
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxylate (CID 6616664) is ethyl 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc(-c3ccccc3F)nc3ccccc23)CC1.
What is the InChIKey of ethyl 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxylate?
The InChIKey is WMFOTTPKZPKIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-2-28-22(27)15-11-13-26(14-12-15)21-17-8-4-6-10-19(17)24-20(25-21)16-7-3-5-9-18(16)23/h3-10,15H,2,11-14H2,1H3.
What are the key properties of ethyl 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxylate?
ethyl 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxylate has a molecular weight of 379.44 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 6616664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).