1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one

C22H25N3O2 — CID 53169309

IUPAC1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one
SMILESCc1cc(C)cc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3C)c1
InChIInChI=1S/C22H25N3O2/c1-15-12-16(2)14-17(13-15)21(27)25-10-8-22(9-11-25)23-20(26)18-6-4-5-7-19(18)24(22)3/h4-7,12-14H,8-11H2,1-3H3,(H,23,26)
InChIKeyWYWSZAFJOBGRKJ-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.12
Rot. Bonds1

About 1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one

1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one (PubChem CID 53169309) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one
PubChem CID53169309
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one
SMILESCc1cc(C)cc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3C)c1
InChIInChI=1S/C22H25N3O2/c1-15-12-16(2)14-17(13-15)21(27)25-10-8-22(9-11-25)23-20(26)18-6-4-5-7-19(18)24(22)3/h4-7,12-14H,8-11H2,1-3H3,(H,23,26)
InChIKeyWYWSZAFJOBGRKJ-UHFFFAOYSA-N
XLogP3.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-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

N-benzyl-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169534
N-(3-chlorophenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169540
1'-(3,5-dimethylbenzoyl)-1-ethyl-6-fluorospiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 53169465
1-methylspiro[3H-quinazoline-2,4'-thiane]-4-one
CID 25344226
1-methyl-1'-(pyridine-4-carbonyl)spiro[3H-pyrido[2,3-d]pyrimidine-2,4'-piperidine]-4-one
CID 95807541
N-benzyl-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169557
N-(2-ethoxyphenyl)-1-methyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169538
1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169561
7-fluoro-1-methyl-1'-(2-phenylacetyl)spiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 53169379
N-(3,4-dimethylphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169556
(3,5-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 17250049
N-(4-methoxyphenyl)-1,6-dimethyl-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169562

Frequently Asked Questions

What is the IUPAC name of 1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one (CID 53169309) is 1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one is Cc1cc(C)cc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3C)c1.
What is the InChIKey of 1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one?
The InChIKey is WYWSZAFJOBGRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-12-16(2)14-17(13-15)21(27)25-10-8-22(9-11-25)23-20(26)18-6-4-5-7-19(18)24(22)3/h4-7,12-14H,8-11H2,1-3H3,(H,23,26).
What are the key properties of 1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one?
1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one has a molecular weight of 363.46 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3,5-dimethylbenzoyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 53169309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).