5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C20H20FN3O2 — CID 42875532

IUPAC5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)Cc3ccccc3)CC2)Nc2cccc(F)c21
InChIInChI=1S/C20H20FN3O2/c21-15-7-4-8-16-18(15)19(26)23-20(22-16)9-11-24(12-10-20)17(25)13-14-5-2-1-3-6-14/h1-8,22H,9-13H2,(H,23,26)
InChIKeyADPKZJYNLNMWAR-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.54
Rot. Bonds2

About 5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 42875532) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID42875532
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)Cc3ccccc3)CC2)Nc2cccc(F)c21
InChIInChI=1S/C20H20FN3O2/c21-15-7-4-8-16-18(15)19(26)23-20(22-16)9-11-24(12-10-20)17(25)13-14-5-2-1-3-6-14/h1-8,22H,9-13H2,(H,23,26)
InChIKeyADPKZJYNLNMWAR-UHFFFAOYSA-N
XLogP2.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1'-(3-phenylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46169461
6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875396
5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46169482
1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 136577906
CID 110211750
CID 110211750
6,7-difluoro-1'-(2-phenoxyacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077822
1-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 110798668
5-chloro-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077796
5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875507
5-chloro-1'-(furan-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 24716812
1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 22240695
5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875504

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 42875532) is 5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is O=C1NC2(CCN(C(=O)Cc3ccccc3)CC2)Nc2cccc(F)c21.
What is the InChIKey of 5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is ADPKZJYNLNMWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-15-7-4-8-16-18(15)19(26)23-20(22-16)9-11-24(12-10-20)17(25)13-14-5-2-1-3-6-14/h1-8,22H,9-13H2,(H,23,26).
What are the key properties of 5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 353.40 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 42875532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).