8-fluoro-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride

C13H17ClFN3O — CID 68825666

IUPAC8-fluoro-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride
SMILESCl.O=C1Nc2c(F)cccc2CN1C1CCNCC1
InChIInChI=1S/C13H16FN3O.ClH/c14-11-3-1-2-9-8-17(13(18)16-12(9)11)10-4-6-15-7-5-10;/h1-3,10,15H,4-8H2,(H,16,18);1H
InChIKeyZHROWVSCQPENBR-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.35
Rot. Bonds1

About 8-fluoro-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride

8-fluoro-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride (PubChem CID 68825666) has the molecular formula C13H17ClFN3O and a molecular weight of 285.75 g/mol. Its IUPAC name is 8-fluoro-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride.

Molecular Properties

Compound Name8-fluoro-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride
PubChem CID68825666
Molecular FormulaC13H17ClFN3O
Molecular Weight285.75 g/mol
Exact Mass285.10
IUPAC Name8-fluoro-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride
SMILESCl.O=C1Nc2c(F)cccc2CN1C1CCNCC1
InChIInChI=1S/C13H16FN3O.ClH/c14-11-3-1-2-9-8-17(13(18)16-12(9)11)10-4-6-15-7-5-10;/h1-3,10,15H,4-8H2,(H,16,18);1H
InChIKeyZHROWVSCQPENBR-UHFFFAOYSA-N
XLogP2.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride?
The IUPAC name of 8-fluoro-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride (CID 68825666) is 8-fluoro-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride.
What is the SMILES notation for 8-fluoro-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride?
The canonical SMILES for 8-fluoro-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride is Cl.O=C1Nc2c(F)cccc2CN1C1CCNCC1.
What is the InChIKey of 8-fluoro-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride?
The InChIKey is ZHROWVSCQPENBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O.ClH/c14-11-3-1-2-9-8-17(13(18)16-12(9)11)10-4-6-15-7-5-10;/h1-3,10,15H,4-8H2,(H,16,18);1H.
What are the key properties of 8-fluoro-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride?
8-fluoro-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride has a molecular weight of 285.75 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride is sourced from PubChem (CID 68825666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).