6-bromo-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C19H17BrFN3O2 — CID 46077773

IUPAC6-bromo-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)c3ccc(F)cc3)CC2)Nc2ccc(Br)cc21
InChIInChI=1S/C19H17BrFN3O2/c20-13-3-6-16-15(11-13)17(25)23-19(22-16)7-9-24(10-8-19)18(26)12-1-4-14(21)5-2-12/h1-6,11,22H,7-10H2,(H,23,25)
InChIKeyZXXNEAULJYJEEJ-UHFFFAOYSA-N
MW418.27 g/mol
LogP3.38
Rot. Bonds1

About 6-bromo-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

6-bromo-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 46077773) has the molecular formula C19H17BrFN3O2 and a molecular weight of 418.27 g/mol. Its IUPAC name is 6-bromo-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-bromo-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID46077773
Molecular FormulaC19H17BrFN3O2
Molecular Weight418.27 g/mol
Exact Mass417.05
IUPAC Name6-bromo-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)c3ccc(F)cc3)CC2)Nc2ccc(Br)cc21
InChIInChI=1S/C19H17BrFN3O2/c20-13-3-6-16-15(11-13)17(25)23-19(22-16)7-9-24(10-8-19)18(26)12-1-4-14(21)5-2-12/h1-6,11,22H,7-10H2,(H,23,25)
InChIKeyZXXNEAULJYJEEJ-UHFFFAOYSA-N
XLogP3.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 6-bromo-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 46077773) is 6-bromo-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-bromo-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 6-bromo-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is O=C1NC2(CCN(C(=O)c3ccc(F)cc3)CC2)Nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is ZXXNEAULJYJEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN3O2/c20-13-3-6-16-15(11-13)17(25)23-19(22-16)7-9-24(10-8-19)18(26)12-1-4-14(21)5-2-12/h1-6,11,22H,7-10H2,(H,23,25).
What are the key properties of 6-bromo-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
6-bromo-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 418.27 g/mol, XLogP of 3.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 46077773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).