5,6-dichloro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C16H19Cl2N3O2 — CID 42875526

IUPAC5,6-dichloro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCC(C)C(=O)N1CCC2(CC1)NC(=O)c1c(ccc(Cl)c1Cl)N2
InChIInChI=1S/C16H19Cl2N3O2/c1-9(2)15(23)21-7-5-16(6-8-21)19-11-4-3-10(17)13(18)12(11)14(22)20-16/h3-4,9,19H,5-8H2,1-2H3,(H,20,22)
InChIKeyISDCBPAGOTUPDQ-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.12
Rot. Bonds1

About 5,6-dichloro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

5,6-dichloro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 42875526) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 5,6-dichloro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name5,6-dichloro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID42875526
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name5,6-dichloro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCC(C)C(=O)N1CCC2(CC1)NC(=O)c1c(ccc(Cl)c1Cl)N2
InChIInChI=1S/C16H19Cl2N3O2/c1-9(2)15(23)21-7-5-16(6-8-21)19-11-4-3-10(17)13(18)12(11)14(22)20-16/h3-4,9,19H,5-8H2,1-2H3,(H,20,22)
InChIKeyISDCBPAGOTUPDQ-UHFFFAOYSA-N
XLogP3.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dichloro-1'-(2-phenylbutanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46169516
5,6-dichloro-1'-(4-pentylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46169517
6,7-difluoro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 24716899
5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875507
5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875504
5-chloro-1'-(2-methylpropyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875661
5-chloro-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077796
5-chloro-1'-(4-methoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077654
5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46169482
5-chloro-1'-(furan-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 24716812
1'-(2,2-diphenylacetyl)-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875442
5-chloro-1'-(3-nitrobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077800

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 5,6-dichloro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 42875526) is 5,6-dichloro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 5,6-dichloro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 5,6-dichloro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is CC(C)C(=O)N1CCC2(CC1)NC(=O)c1c(ccc(Cl)c1Cl)N2.
What is the InChIKey of 5,6-dichloro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is ISDCBPAGOTUPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c1-9(2)15(23)21-7-5-16(6-8-21)19-11-4-3-10(17)13(18)12(11)14(22)20-16/h3-4,9,19H,5-8H2,1-2H3,(H,20,22).
What are the key properties of 5,6-dichloro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
5,6-dichloro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 356.25 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 42875526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).