6,7-difluoro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C16H19F2N3O2 — CID 24716899

IUPAC6,7-difluoro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCC(C)C(=O)N1CCC2(CC1)NC(=O)c1cc(F)c(F)cc1N2
InChIInChI=1S/C16H19F2N3O2/c1-9(2)15(23)21-5-3-16(4-6-21)19-13-8-12(18)11(17)7-10(13)14(22)20-16/h7-9,19H,3-6H2,1-2H3,(H,20,22)
InChIKeyPFRNOEOUFANIDI-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.09
Rot. Bonds1

About 6,7-difluoro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

6,7-difluoro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 24716899) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is 6,7-difluoro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6,7-difluoro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID24716899
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name6,7-difluoro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCC(C)C(=O)N1CCC2(CC1)NC(=O)c1cc(F)c(F)cc1N2
InChIInChI=1S/C16H19F2N3O2/c1-9(2)15(23)21-5-3-16(4-6-21)19-13-8-12(18)11(17)7-10(13)14(22)20-16/h7-9,19H,3-6H2,1-2H3,(H,20,22)
InChIKeyPFRNOEOUFANIDI-UHFFFAOYSA-N
XLogP2.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 6,7-difluoro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 24716899) is 6,7-difluoro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 6,7-difluoro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 6,7-difluoro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is CC(C)C(=O)N1CCC2(CC1)NC(=O)c1cc(F)c(F)cc1N2.
What is the InChIKey of 6,7-difluoro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is PFRNOEOUFANIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-9(2)15(23)21-5-3-16(4-6-21)19-13-8-12(18)11(17)7-10(13)14(22)20-16/h7-9,19H,3-6H2,1-2H3,(H,20,22).
What are the key properties of 6,7-difluoro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
6,7-difluoro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 323.34 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 24716899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).