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

C19H21N3O — CID 42805958

IUPAC3-benzylspiro[1H-quinazoline-2,4'-piperidine]-4-one
SMILESO=C1c2ccccc2NC2(CCNCC2)N1Cc1ccccc1
InChIInChI=1S/C19H21N3O/c23-18-16-8-4-5-9-17(16)21-19(10-12-20-13-11-19)22(18)14-15-6-2-1-3-7-15/h1-9,20-21H,10-14H2
InChIKeyLTSFHOQKNRIELE-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.83
Rot. Bonds2

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

3-benzylspiro[1H-quinazoline-2,4'-piperidine]-4-one (PubChem CID 42805958) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-benzylspiro[1H-quinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name3-benzylspiro[1H-quinazoline-2,4'-piperidine]-4-one
PubChem CID42805958
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-benzylspiro[1H-quinazoline-2,4'-piperidine]-4-one
SMILESO=C1c2ccccc2NC2(CCNCC2)N1Cc1ccccc1
InChIInChI=1S/C19H21N3O/c23-18-16-8-4-5-9-17(16)21-19(10-12-20-13-11-19)22(18)14-15-6-2-1-3-7-15/h1-9,20-21H,10-14H2
InChIKeyLTSFHOQKNRIELE-UHFFFAOYSA-N
XLogP2.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 46195333
(2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one
CID 29102769
3-ethylspiro[1H-quinazoline-2,1'-cyclopentane]-4-one
CID 3780177
1-benzylspiro[3H-quinazoline-2,1'-cyclohexane]-4-one
CID 13441558
3-benzyl-2-butyl-2-phenyl-1H-quinazolin-4-one
CID 54779372
3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1'-phenylspiro[1H-quinazoline-2,4'-cyclohexane]-1'-carbonitrile
CID 46608897
1-benzyl-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 115067200
(2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 41457150
1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 134113619
1-ethylspiro[3H-quinazoline-2,4'-piperidine]-4-one
CID 53337683
3-benzyl-2-methyl-2-[4-(3-phenylpropoxy)phenyl]-1H-quinazolin-4-one
CID 54780494
2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54778614

Frequently Asked Questions

What is the IUPAC name of 3-benzylspiro[1H-quinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 3-benzylspiro[1H-quinazoline-2,4'-piperidine]-4-one (CID 42805958) is 3-benzylspiro[1H-quinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 3-benzylspiro[1H-quinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 3-benzylspiro[1H-quinazoline-2,4'-piperidine]-4-one is O=C1c2ccccc2NC2(CCNCC2)N1Cc1ccccc1.
What is the InChIKey of 3-benzylspiro[1H-quinazoline-2,4'-piperidine]-4-one?
The InChIKey is LTSFHOQKNRIELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-18-16-8-4-5-9-17(16)21-19(10-12-20-13-11-19)22(18)14-15-6-2-1-3-7-15/h1-9,20-21H,10-14H2.
What are the key properties of 3-benzylspiro[1H-quinazoline-2,4'-piperidine]-4-one?
3-benzylspiro[1H-quinazoline-2,4'-piperidine]-4-one has a molecular weight of 307.40 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylspiro[1H-quinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 42805958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).