6-fluoro-2-[1-(2-methylpropyl)piperidin-3-yl]-3H-quinazolin-4-one

C17H22FN3O — CID 136928771

IUPAC6-fluoro-2-[1-(2-methylpropyl)piperidin-3-yl]-3H-quinazolin-4-one
SMILESCC(C)CN1CCCC(c2nc3ccc(F)cc3c(=O)[nH]2)C1
InChIInChI=1S/C17H22FN3O/c1-11(2)9-21-7-3-4-12(10-21)16-19-15-6-5-13(18)8-14(15)17(22)20-16/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H,19,20,22)
InChIKeyVIPPLJLIZKNUOT-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.90
Rot. Bonds3

About 6-fluoro-2-[1-(2-methylpropyl)piperidin-3-yl]-3H-quinazolin-4-one

6-fluoro-2-[1-(2-methylpropyl)piperidin-3-yl]-3H-quinazolin-4-one (PubChem CID 136928771) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 6-fluoro-2-[1-(2-methylpropyl)piperidin-3-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-[1-(2-methylpropyl)piperidin-3-yl]-3H-quinazolin-4-one
PubChem CID136928771
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name6-fluoro-2-[1-(2-methylpropyl)piperidin-3-yl]-3H-quinazolin-4-one
SMILESCC(C)CN1CCCC(c2nc3ccc(F)cc3c(=O)[nH]2)C1
InChIInChI=1S/C17H22FN3O/c1-11(2)9-21-7-3-4-12(10-21)16-19-15-6-5-13(18)8-14(15)17(22)20-16/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H,19,20,22)
InChIKeyVIPPLJLIZKNUOT-UHFFFAOYSA-N
XLogP2.90
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[1-(2-methylpropyl)piperidin-3-yl]-3H-quinazolin-4-one?
The IUPAC name of 6-fluoro-2-[1-(2-methylpropyl)piperidin-3-yl]-3H-quinazolin-4-one (CID 136928771) is 6-fluoro-2-[1-(2-methylpropyl)piperidin-3-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-fluoro-2-[1-(2-methylpropyl)piperidin-3-yl]-3H-quinazolin-4-one?
The canonical SMILES for 6-fluoro-2-[1-(2-methylpropyl)piperidin-3-yl]-3H-quinazolin-4-one is CC(C)CN1CCCC(c2nc3ccc(F)cc3c(=O)[nH]2)C1.
What is the InChIKey of 6-fluoro-2-[1-(2-methylpropyl)piperidin-3-yl]-3H-quinazolin-4-one?
The InChIKey is VIPPLJLIZKNUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-11(2)9-21-7-3-4-12(10-21)16-19-15-6-5-13(18)8-14(15)17(22)20-16/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H,19,20,22).
What are the key properties of 6-fluoro-2-[1-(2-methylpropyl)piperidin-3-yl]-3H-quinazolin-4-one?
6-fluoro-2-[1-(2-methylpropyl)piperidin-3-yl]-3H-quinazolin-4-one has a molecular weight of 303.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[1-(2-methylpropyl)piperidin-3-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 136928771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).