2-(1-ethylpiperidin-4-yl)-6-(3-fluorophenyl)quinazoline

C21H22FN3 — CID 141144096

IUPAC2-(1-ethylpiperidin-4-yl)-6-(3-fluorophenyl)quinazoline
SMILESCCN1CCC(c2ncc3cc(-c4cccc(F)c4)ccc3n2)CC1
InChIInChI=1S/C21H22FN3/c1-2-25-10-8-15(9-11-25)21-23-14-18-12-17(6-7-20(18)24-21)16-4-3-5-19(22)13-16/h3-7,12-15H,2,8-11H2,1H3
InChIKeyQEZKNWVTOXXGSH-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.64
Rot. Bonds3

About 2-(1-ethylpiperidin-4-yl)-6-(3-fluorophenyl)quinazoline

2-(1-ethylpiperidin-4-yl)-6-(3-fluorophenyl)quinazoline (PubChem CID 141144096) has the molecular formula C21H22FN3 and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-6-(3-fluorophenyl)quinazoline.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-6-(3-fluorophenyl)quinazoline
PubChem CID141144096
Molecular FormulaC21H22FN3
Molecular Weight335.43 g/mol
Exact Mass335.18
IUPAC Name2-(1-ethylpiperidin-4-yl)-6-(3-fluorophenyl)quinazoline
SMILESCCN1CCC(c2ncc3cc(-c4cccc(F)c4)ccc3n2)CC1
InChIInChI=1S/C21H22FN3/c1-2-25-10-8-15(9-11-25)21-23-14-18-12-17(6-7-20(18)24-21)16-4-3-5-19(22)13-16/h3-7,12-15H,2,8-11H2,1H3
InChIKeyQEZKNWVTOXXGSH-UHFFFAOYSA-N
XLogP4.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-6-(3-fluorophenyl)quinazoline?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-6-(3-fluorophenyl)quinazoline (CID 141144096) is 2-(1-ethylpiperidin-4-yl)-6-(3-fluorophenyl)quinazoline.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-6-(3-fluorophenyl)quinazoline?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-6-(3-fluorophenyl)quinazoline is CCN1CCC(c2ncc3cc(-c4cccc(F)c4)ccc3n2)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-6-(3-fluorophenyl)quinazoline?
The InChIKey is QEZKNWVTOXXGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3/c1-2-25-10-8-15(9-11-25)21-23-14-18-12-17(6-7-20(18)24-21)16-4-3-5-19(22)13-16/h3-7,12-15H,2,8-11H2,1H3.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-6-(3-fluorophenyl)quinazoline?
2-(1-ethylpiperidin-4-yl)-6-(3-fluorophenyl)quinazoline has a molecular weight of 335.43 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-6-(3-fluorophenyl)quinazoline is sourced from PubChem (CID 141144096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).