8-fluoro-3-(1-propylpiperidin-4-yl)quinazolin-4-one

C16H20FN3O — CID 39830585

IUPAC8-fluoro-3-(1-propylpiperidin-4-yl)quinazolin-4-one
SMILESCCCN1CCC(n2cnc3c(F)cccc3c2=O)CC1
InChIInChI=1S/C16H20FN3O/c1-2-8-19-9-6-12(7-10-19)20-11-18-15-13(16(20)21)4-3-5-14(15)17/h3-5,11-12H,2,6-10H2,1H3
InChIKeyNZCYBYNCYOSAGA-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.58
Rot. Bonds3

About 8-fluoro-3-(1-propylpiperidin-4-yl)quinazolin-4-one

8-fluoro-3-(1-propylpiperidin-4-yl)quinazolin-4-one (PubChem CID 39830585) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 8-fluoro-3-(1-propylpiperidin-4-yl)quinazolin-4-one.

Molecular Properties

Compound Name8-fluoro-3-(1-propylpiperidin-4-yl)quinazolin-4-one
PubChem CID39830585
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name8-fluoro-3-(1-propylpiperidin-4-yl)quinazolin-4-one
SMILESCCCN1CCC(n2cnc3c(F)cccc3c2=O)CC1
InChIInChI=1S/C16H20FN3O/c1-2-8-19-9-6-12(7-10-19)20-11-18-15-13(16(20)21)4-3-5-14(15)17/h3-5,11-12H,2,6-10H2,1H3
InChIKeyNZCYBYNCYOSAGA-UHFFFAOYSA-N
XLogP2.58
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(1-propylpiperidin-4-yl)quinazolin-4-one?
The IUPAC name of 8-fluoro-3-(1-propylpiperidin-4-yl)quinazolin-4-one (CID 39830585) is 8-fluoro-3-(1-propylpiperidin-4-yl)quinazolin-4-one.
What is the SMILES notation for 8-fluoro-3-(1-propylpiperidin-4-yl)quinazolin-4-one?
The canonical SMILES for 8-fluoro-3-(1-propylpiperidin-4-yl)quinazolin-4-one is CCCN1CCC(n2cnc3c(F)cccc3c2=O)CC1.
What is the InChIKey of 8-fluoro-3-(1-propylpiperidin-4-yl)quinazolin-4-one?
The InChIKey is NZCYBYNCYOSAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-2-8-19-9-6-12(7-10-19)20-11-18-15-13(16(20)21)4-3-5-14(15)17/h3-5,11-12H,2,6-10H2,1H3.
What are the key properties of 8-fluoro-3-(1-propylpiperidin-4-yl)quinazolin-4-one?
8-fluoro-3-(1-propylpiperidin-4-yl)quinazolin-4-one has a molecular weight of 289.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(1-propylpiperidin-4-yl)quinazolin-4-one is sourced from PubChem (CID 39830585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).