spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride

C12H16ClN3O — CID 68664926

IUPACspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride
SMILESCl.O=C1NC2(CCNCC2)Nc2ccccc21
InChIInChI=1S/C12H15N3O.ClH/c16-11-9-3-1-2-4-10(9)14-12(15-11)5-7-13-8-6-12;/h1-4,13-14H,5-8H2,(H,15,16);1H
InChIKeyOPDGQYWVGTUVJA-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.34
Rot. Bonds

About spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride

spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride (PubChem CID 68664926) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride.

Molecular Properties

Compound Namespiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride
PubChem CID68664926
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Namespiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride
SMILESCl.O=C1NC2(CCNCC2)Nc2ccccc21
InChIInChI=1S/C12H15N3O.ClH/c16-11-9-3-1-2-4-10(9)14-12(15-11)5-7-13-8-6-12;/h1-4,13-14H,5-8H2,(H,15,16);1H
InChIKeyOPDGQYWVGTUVJA-UHFFFAOYSA-N
XLogP1.34
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride 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

8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 24715101
(2R,3'R)-3'-methylspiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one
CID 95167747
2,2-dimethyl-1,3-dihydroquinazolin-4-one
CID 595161
1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46950624
1'-(naphthalene-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077696
methyl 3-oxo-3-(4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-yl)propanoate
CID 134069534
1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride
CID 171670041
8'-methoxyspiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one
CID 166226224
1'-(4-nitrobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46169377
1'-(4-amino-1,2,5-oxadiazole-3-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46952531
spiro[1,3-dihydro-4,1,3-benzoxadiazepine-2,1'-cyclopentane]-5-one
CID 5151072
2,2-diethyl-1,3-dihydroquinazolin-4-one
CID 12925301

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride?
The IUPAC name of spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride (CID 68664926) is spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride.
What is the SMILES notation for spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride?
The canonical SMILES for spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride is Cl.O=C1NC2(CCNCC2)Nc2ccccc21.
What is the InChIKey of spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride?
The InChIKey is OPDGQYWVGTUVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.ClH/c16-11-9-3-1-2-4-10(9)14-12(15-11)5-7-13-8-6-12;/h1-4,13-14H,5-8H2,(H,15,16);1H.
What are the key properties of spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride?
spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride has a molecular weight of 253.73 g/mol, XLogP of 1.34, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride is sourced from PubChem (CID 68664926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).