5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C18H18ClN3O2S — CID 46169482

IUPAC5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)Cc3cccs3)CC2)Nc2cccc(Cl)c21
InChIInChI=1S/C18H18ClN3O2S/c19-13-4-1-5-14-16(13)17(24)21-18(20-14)6-8-22(9-7-18)15(23)11-12-3-2-10-25-12/h1-5,10,20H,6-9,11H2,(H,21,24)
InChIKeySNDPCLSEEHAALB-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.12
Rot. Bonds2

About 5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 46169482) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID46169482
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(C(=O)Cc3cccs3)CC2)Nc2cccc(Cl)c21
InChIInChI=1S/C18H18ClN3O2S/c19-13-4-1-5-14-16(13)17(24)21-18(20-14)6-8-22(9-7-18)15(23)11-12-3-2-10-25-12/h1-5,10,20H,6-9,11H2,(H,21,24)
InChIKeySNDPCLSEEHAALB-UHFFFAOYSA-N
XLogP3.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077796
5-chloro-1'-(4-methylbenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875504
5-chloro-1'-(2,2-diphenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875507
5-fluoro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875532
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
5-chloro-1'-(4-methoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077654
5-chloro-1'-(3-nitrobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077800
6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875396
1-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl-2-thiophen-2-ylethanone
CID 14944974
5-methyl-1'-(3-phenylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46169461
2-(2-chlorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 110709213
5,6-dichloro-1'-(2-methylpropanoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875526

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 46169482) is 5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is O=C1NC2(CCN(C(=O)Cc3cccs3)CC2)Nc2cccc(Cl)c21.
What is the InChIKey of 5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is SNDPCLSEEHAALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c19-13-4-1-5-14-16(13)17(24)21-18(20-14)6-8-22(9-7-18)15(23)11-12-3-2-10-25-12/h1-5,10,20H,6-9,11H2,(H,21,24).
What are the key properties of 5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 375.88 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1'-(2-thiophen-2-ylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 46169482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).