5-(1-ethyl-3,3-difluoropiperidin-4-yl)oxyquinazolin-4-amine

C15H18F2N4O — CID 175772412

IUPAC5-(1-ethyl-3,3-difluoropiperidin-4-yl)oxyquinazolin-4-amine
SMILESCCN1CCC(Oc2cccc3ncnc(N)c23)C(F)(F)C1
InChIInChI=1S/C15H18F2N4O/c1-2-21-7-6-12(15(16,17)8-21)22-11-5-3-4-10-13(11)14(18)20-9-19-10/h3-5,9,12H,2,6-8H2,1H3,(H2,18,19,20)
InChIKeyJUAWGDPTENIROM-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.32
Rot. Bonds3

About 5-(1-ethyl-3,3-difluoropiperidin-4-yl)oxyquinazolin-4-amine

5-(1-ethyl-3,3-difluoropiperidin-4-yl)oxyquinazolin-4-amine (PubChem CID 175772412) has the molecular formula C15H18F2N4O and a molecular weight of 308.33 g/mol. Its IUPAC name is 5-(1-ethyl-3,3-difluoropiperidin-4-yl)oxyquinazolin-4-amine.

Molecular Properties

Compound Name5-(1-ethyl-3,3-difluoropiperidin-4-yl)oxyquinazolin-4-amine
PubChem CID175772412
Molecular FormulaC15H18F2N4O
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name5-(1-ethyl-3,3-difluoropiperidin-4-yl)oxyquinazolin-4-amine
SMILESCCN1CCC(Oc2cccc3ncnc(N)c23)C(F)(F)C1
InChIInChI=1S/C15H18F2N4O/c1-2-21-7-6-12(15(16,17)8-21)22-11-5-3-4-10-13(11)14(18)20-9-19-10/h3-5,9,12H,2,6-8H2,1H3,(H2,18,19,20)
InChIKeyJUAWGDPTENIROM-UHFFFAOYSA-N
XLogP2.32
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-3,3-difluoropiperidin-4-yl)oxyquinazolin-4-amine?
The IUPAC name of 5-(1-ethyl-3,3-difluoropiperidin-4-yl)oxyquinazolin-4-amine (CID 175772412) is 5-(1-ethyl-3,3-difluoropiperidin-4-yl)oxyquinazolin-4-amine.
What is the SMILES notation for 5-(1-ethyl-3,3-difluoropiperidin-4-yl)oxyquinazolin-4-amine?
The canonical SMILES for 5-(1-ethyl-3,3-difluoropiperidin-4-yl)oxyquinazolin-4-amine is CCN1CCC(Oc2cccc3ncnc(N)c23)C(F)(F)C1.
What is the InChIKey of 5-(1-ethyl-3,3-difluoropiperidin-4-yl)oxyquinazolin-4-amine?
The InChIKey is JUAWGDPTENIROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O/c1-2-21-7-6-12(15(16,17)8-21)22-11-5-3-4-10-13(11)14(18)20-9-19-10/h3-5,9,12H,2,6-8H2,1H3,(H2,18,19,20).
What are the key properties of 5-(1-ethyl-3,3-difluoropiperidin-4-yl)oxyquinazolin-4-amine?
5-(1-ethyl-3,3-difluoropiperidin-4-yl)oxyquinazolin-4-amine has a molecular weight of 308.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-3,3-difluoropiperidin-4-yl)oxyquinazolin-4-amine is sourced from PubChem (CID 175772412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).