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

C20H19F2N3O3 — CID 46077822

IUPAC6,7-difluoro-1'-(2-phenoxyacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)COc3ccccc3)CC2)Nc2cc(F)c(F)cc21
InChIInChI=1S/C20H19F2N3O3/c21-15-10-14-17(11-16(15)22)23-20(24-19(14)27)6-8-25(9-7-20)18(26)12-28-13-4-2-1-3-5-13/h1-5,10-11,23H,6-9,12H2,(H,24,27)
InChIKeyMUAVOKXHIJIMPO-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.52
Rot. Bonds3

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

6,7-difluoro-1'-(2-phenoxyacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 46077822) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is 6,7-difluoro-1'-(2-phenoxyacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6,7-difluoro-1'-(2-phenoxyacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID46077822
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name6,7-difluoro-1'-(2-phenoxyacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)COc3ccccc3)CC2)Nc2cc(F)c(F)cc21
InChIInChI=1S/C20H19F2N3O3/c21-15-10-14-17(11-16(15)22)23-20(24-19(14)27)6-8-25(9-7-20)18(26)12-28-13-4-2-1-3-5-13/h1-5,10-11,23H,6-9,12H2,(H,24,27)
InChIKeyMUAVOKXHIJIMPO-UHFFFAOYSA-N
XLogP2.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6,7-difluoro-1'-(2-phenoxyacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one with MolForge

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Related Compounds

6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875396
1-(6-azaspiro[2.5]octan-6-yl)-2-phenoxyethanone
CID 97399323
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
6,7-difluoro-N-(2-methoxyphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 42875576
methyl 3-oxo-3-(4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-yl)propanoate
CID 134069534
5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875532
1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618073
7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 53169517
N-(2,4-dimethylphenyl)-6,7-difluoro-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 46077885
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
CID 807242
1-[3-[(3-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-2-phenoxyethanone
CID 132770532
1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone
CID 695003

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1'-(2-phenoxyacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 6,7-difluoro-1'-(2-phenoxyacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 46077822) is 6,7-difluoro-1'-(2-phenoxyacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 6,7-difluoro-1'-(2-phenoxyacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 6,7-difluoro-1'-(2-phenoxyacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is O=C1NC2(CCN(C(=O)COc3ccccc3)CC2)Nc2cc(F)c(F)cc21.
What is the InChIKey of 6,7-difluoro-1'-(2-phenoxyacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is MUAVOKXHIJIMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c21-15-10-14-17(11-16(15)22)23-20(24-19(14)27)6-8-25(9-7-20)18(26)12-28-13-4-2-1-3-5-13/h1-5,10-11,23H,6-9,12H2,(H,24,27).
What are the key properties of 6,7-difluoro-1'-(2-phenoxyacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
6,7-difluoro-1'-(2-phenoxyacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 387.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1'-(2-phenoxyacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 46077822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).