2-(1-ethylpiperidin-3-yl)-6-fluoro-3H-quinazolin-4-one

C15H18FN3O — CID 137298675

IUPAC2-(1-ethylpiperidin-3-yl)-6-fluoro-3H-quinazolin-4-one
SMILESCCN1CCCC(c2nc3ccc(F)cc3c(=O)[nH]2)C1
InChIInChI=1S/C15H18FN3O/c1-2-19-7-3-4-10(9-19)14-17-13-6-5-11(16)8-12(13)15(20)18-14/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,18,20)
InChIKeyDZAIMXXCLFKQKL-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.26
Rot. Bonds2

About 2-(1-ethylpiperidin-3-yl)-6-fluoro-3H-quinazolin-4-one

2-(1-ethylpiperidin-3-yl)-6-fluoro-3H-quinazolin-4-one (PubChem CID 137298675) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-3-yl)-6-fluoro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1-ethylpiperidin-3-yl)-6-fluoro-3H-quinazolin-4-one
PubChem CID137298675
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-(1-ethylpiperidin-3-yl)-6-fluoro-3H-quinazolin-4-one
SMILESCCN1CCCC(c2nc3ccc(F)cc3c(=O)[nH]2)C1
InChIInChI=1S/C15H18FN3O/c1-2-19-7-3-4-10(9-19)14-17-13-6-5-11(16)8-12(13)15(20)18-14/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,18,20)
InChIKeyDZAIMXXCLFKQKL-UHFFFAOYSA-N
XLogP2.26
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-3-yl)-6-fluoro-3H-quinazolin-4-one?
The IUPAC name of 2-(1-ethylpiperidin-3-yl)-6-fluoro-3H-quinazolin-4-one (CID 137298675) is 2-(1-ethylpiperidin-3-yl)-6-fluoro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1-ethylpiperidin-3-yl)-6-fluoro-3H-quinazolin-4-one?
The canonical SMILES for 2-(1-ethylpiperidin-3-yl)-6-fluoro-3H-quinazolin-4-one is CCN1CCCC(c2nc3ccc(F)cc3c(=O)[nH]2)C1.
What is the InChIKey of 2-(1-ethylpiperidin-3-yl)-6-fluoro-3H-quinazolin-4-one?
The InChIKey is DZAIMXXCLFKQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-2-19-7-3-4-10(9-19)14-17-13-6-5-11(16)8-12(13)15(20)18-14/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,18,20).
What are the key properties of 2-(1-ethylpiperidin-3-yl)-6-fluoro-3H-quinazolin-4-one?
2-(1-ethylpiperidin-3-yl)-6-fluoro-3H-quinazolin-4-one has a molecular weight of 275.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-3-yl)-6-fluoro-3H-quinazolin-4-one is sourced from PubChem (CID 137298675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).