1'-(quinolin-8-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one

C22H21N3O2 — CID 126470315

IUPAC1'-(quinolin-8-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(Cc3cccc4cccnc34)CC2)Oc2ccccc21
InChIInChI=1S/C22H21N3O2/c26-21-18-8-1-2-9-19(18)27-22(24-21)10-13-25(14-11-22)15-17-6-3-5-16-7-4-12-23-20(16)17/h1-9,12H,10-11,13-15H2,(H,24,26)
InChIKeyLPEITLPXPXYJKK-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.35
Rot. Bonds2

About 1'-(quinolin-8-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one

1'-(quinolin-8-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one (PubChem CID 126470315) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1'-(quinolin-8-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(quinolin-8-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
PubChem CID126470315
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1'-(quinolin-8-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
SMILESO=C1NC2(CCN(Cc3cccc4cccnc34)CC2)Oc2ccccc21
InChIInChI=1S/C22H21N3O2/c26-21-18-8-1-2-9-19(18)27-22(24-21)10-13-25(14-11-22)15-17-6-3-5-16-7-4-12-23-20(16)17/h1-9,12H,10-11,13-15H2,(H,24,26)
InChIKeyLPEITLPXPXYJKK-UHFFFAOYSA-N
XLogP3.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 16669352
1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one
CID 134791894
1'-(naphthalen-1-ylmethyl)spiro[2,4-dihydro-1,4-benzoxazepine-3,4'-piperidine]-5-one
CID 134794713
1'-ethylsulfonylspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 20954795
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
4-(hydroxymethyl)-1-(quinolin-8-ylmethyl)piperidin-4-ol
CID 56760267
spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one
CID 652743
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370
1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 53016592
1'-[[4-(dimethylamino)phenyl]methyl]spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one
CID 134798812
3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17450906
8-[2-[2-(piperazin-1-ylmethyl)phenyl]phenyl]quinoline
CID 91803359

Frequently Asked Questions

What is the IUPAC name of 1'-(quinolin-8-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(quinolin-8-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one (CID 126470315) is 1'-(quinolin-8-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(quinolin-8-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(quinolin-8-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one is O=C1NC2(CCN(Cc3cccc4cccnc34)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(quinolin-8-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The InChIKey is LPEITLPXPXYJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-21-18-8-1-2-9-19(18)27-22(24-21)10-13-25(14-11-22)15-17-6-3-5-16-7-4-12-23-20(16)17/h1-9,12H,10-11,13-15H2,(H,24,26).
What are the key properties of 1'-(quinolin-8-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
1'-(quinolin-8-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one has a molecular weight of 359.43 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(quinolin-8-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one is sourced from PubChem (CID 126470315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).