1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one

C14H19N3O — CID 134113619

IUPAC1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one
SMILESCN1CCC2(CC1)Nc1ccccc1C(=O)N2C
InChIInChI=1S/C14H19N3O/c1-16-9-7-14(8-10-16)15-12-6-4-3-5-11(12)13(18)17(14)2/h3-6,15H,7-10H2,1-2H3
InChIKeyKLBSONCELXJYNP-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.61
Rot. Bonds

About 1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one

1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one (PubChem CID 134113619) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one
PubChem CID134113619
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one
SMILESCN1CCC2(CC1)Nc1ccccc1C(=O)N2C
InChIInChI=1S/C14H19N3O/c1-16-9-7-14(8-10-16)15-12-6-4-3-5-11(12)13(18)17(14)2/h3-6,15H,7-10H2,1-2H3
InChIKeyKLBSONCELXJYNP-UHFFFAOYSA-N
XLogP1.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(furan-2-carbonyl)-3-methylspiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 71878002
3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
CID 134116644
1'-methyl-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-piperidine]-2-one
CID 71912959
3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one
CID 3780177
1'-methyl-4-methylidenespiro[1,3-dihydroquinoline-2,4'-piperidine]
CID 142044677
3-benzylspiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 42805958
methyl 6-bromo-3-methyl-4-oxospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
CID 154840699
1'-methylspiro[1,3-dihydroindole-2,4'-piperidine]
CID 170208528
3-cyclopentylspiro[1H-quinazoline-2,4'-thiane]-4-one
CID 9299993
1-methylpyrrolidine;1H-pyridin-2-one
CID 143796889
1'-methylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one
CID 10263215
3-(5-methyl-1H-pyrazol-3-yl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
CID 132917833

Frequently Asked Questions

What is the IUPAC name of 1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one (CID 134113619) is 1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one is CN1CCC2(CC1)Nc1ccccc1C(=O)N2C.
What is the InChIKey of 1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one?
The InChIKey is KLBSONCELXJYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-16-9-7-14(8-10-16)15-12-6-4-3-5-11(12)13(18)17(14)2/h3-6,15H,7-10H2,1-2H3.
What are the key properties of 1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one?
1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one has a molecular weight of 245.33 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 134113619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).