3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one

C15H21N3O — CID 134116644

IUPAC3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
SMILESCN(C)N1C(=O)c2ccccc2NC12CCCCC2
InChIInChI=1S/C15H21N3O/c1-17(2)18-14(19)12-8-4-5-9-13(12)16-15(18)10-6-3-7-11-15/h4-5,8-9,16H,3,6-7,10-11H2,1-2H3
InChIKeyIHPCNXDZMNSLRE-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.69
Rot. Bonds1

About 3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one

3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one (PubChem CID 134116644) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
PubChem CID134116644
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
SMILESCN(C)N1C(=O)c2ccccc2NC12CCCCC2
InChIInChI=1S/C15H21N3O/c1-17(2)18-14(19)12-8-4-5-9-13(12)16-15(18)10-6-3-7-11-15/h4-5,8-9,16H,3,6-7,10-11H2,1-2H3
InChIKeyIHPCNXDZMNSLRE-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one
CID 3780177
1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 134113619
3-(5-methyl-1H-pyrazol-3-yl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
CID 132917833
3-[4-[5-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
CID 46702215
3-benzylspiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 42805958
3-cyclopentylspiro[1H-quinazoline-2,4'-thiane]-4-one
CID 9299993
5a-methyl-3,4,5,6-tetrahydro-1H-diazepino[7,1-b]quinazoline-2,11-dione
CID 57387507
spiro[1,3-dihydro-4,1,3-benzoxadiazepine-2,1'-cyclopentane]-5-one
CID 5151072
spiro[1H-indole-2,2'-oxane]-3-one
CID 16720371
(2R)-spiro[1H-indole-2,2'-oxane]-3-one
CID 129382796
2-(dimethylamino)-3-hydroxy-3-methylisoindol-1-one
CID 11195097
1-benzylspiro[3H-quinazoline-2,1'-cyclohexane]-4-one
CID 13441558

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
The IUPAC name of 3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one (CID 134116644) is 3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
The canonical SMILES for 3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one is CN(C)N1C(=O)c2ccccc2NC12CCCCC2.
What is the InChIKey of 3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
The InChIKey is IHPCNXDZMNSLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17(2)18-14(19)12-8-4-5-9-13(12)16-15(18)10-6-3-7-11-15/h4-5,8-9,16H,3,6-7,10-11H2,1-2H3.
What are the key properties of 3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one has a molecular weight of 259.35 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 134116644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).