7-fluoro-1-methyl-1'-(2-phenylacetyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one

C21H22FN3O2 — CID 53169379

IUPAC7-fluoro-1-methyl-1'-(2-phenylacetyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one
SMILESCN1c2cc(F)ccc2C(=O)NC12CCN(C(=O)Cc1ccccc1)CC2
InChIInChI=1S/C21H22FN3O2/c1-24-18-14-16(22)7-8-17(18)20(27)23-21(24)9-11-25(12-10-21)19(26)13-15-5-3-2-4-6-15/h2-8,14H,9-13H2,1H3,(H,23,27)
InChIKeySBSSWPAGUGHBLP-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.57
Rot. Bonds2

About 7-fluoro-1-methyl-1'-(2-phenylacetyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one

7-fluoro-1-methyl-1'-(2-phenylacetyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one (PubChem CID 53169379) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 7-fluoro-1-methyl-1'-(2-phenylacetyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name7-fluoro-1-methyl-1'-(2-phenylacetyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one
PubChem CID53169379
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name7-fluoro-1-methyl-1'-(2-phenylacetyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one
SMILESCN1c2cc(F)ccc2C(=O)NC12CCN(C(=O)Cc1ccccc1)CC2
InChIInChI=1S/C21H22FN3O2/c1-24-18-14-16(22)7-8-17(18)20(27)23-21(24)9-11-25(12-10-21)19(26)13-15-5-3-2-4-6-15/h2-8,14H,9-13H2,1H3,(H,23,27)
InChIKeySBSSWPAGUGHBLP-UHFFFAOYSA-N
XLogP2.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169534
N-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169557
1'-[2-(4-fluorophenyl)acetyl]spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 110235655
1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 53169309
1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 22240695
6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875396
2-(2-chlorophenyl)-8-[2-(4-fluorophenyl)acetyl]-1,2,4,8-tetrazaspiro[4.5]decan-3-one
CID 91890998
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63143059
1'-[2-(4-fluorophenyl)acetyl]-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 134795624
5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875532
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-1'-(2-phenylacetyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 7-fluoro-1-methyl-1'-(2-phenylacetyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one (CID 53169379) is 7-fluoro-1-methyl-1'-(2-phenylacetyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 7-fluoro-1-methyl-1'-(2-phenylacetyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 7-fluoro-1-methyl-1'-(2-phenylacetyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one is CN1c2cc(F)ccc2C(=O)NC12CCN(C(=O)Cc1ccccc1)CC2.
What is the InChIKey of 7-fluoro-1-methyl-1'-(2-phenylacetyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one?
The InChIKey is SBSSWPAGUGHBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-24-18-14-16(22)7-8-17(18)20(27)23-21(24)9-11-25(12-10-21)19(26)13-15-5-3-2-4-6-15/h2-8,14H,9-13H2,1H3,(H,23,27).
What are the key properties of 7-fluoro-1-methyl-1'-(2-phenylacetyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one?
7-fluoro-1-methyl-1'-(2-phenylacetyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one has a molecular weight of 367.42 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-1'-(2-phenylacetyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 53169379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).