1'-(2-hydroxy-2-pyridin-3-ylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one

C20H23N3O2 — CID 166265649

IUPAC1'-(2-hydroxy-2-pyridin-3-ylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2CC12CCN(CC(O)c1cccnc1)CC2
InChIInChI=1S/C20H23N3O2/c24-18(16-5-3-9-21-13-16)14-23-10-7-20(8-11-23)12-15-4-1-2-6-17(15)22-19(20)25/h1-6,9,13,18,24H,7-8,10-12,14H2,(H,22,25)
InChIKeyXFUKQIBPEOBVRY-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.39
Rot. Bonds3

About 1'-(2-hydroxy-2-pyridin-3-ylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one

1'-(2-hydroxy-2-pyridin-3-ylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one (PubChem CID 166265649) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1'-(2-hydroxy-2-pyridin-3-ylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(2-hydroxy-2-pyridin-3-ylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
PubChem CID166265649
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1'-(2-hydroxy-2-pyridin-3-ylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2CC12CCN(CC(O)c1cccnc1)CC2
InChIInChI=1S/C20H23N3O2/c24-18(16-5-3-9-21-13-16)14-23-10-7-20(8-11-23)12-15-4-1-2-6-17(15)22-19(20)25/h1-6,9,13,18,24H,7-8,10-12,14H2,(H,22,25)
InChIKeyXFUKQIBPEOBVRY-UHFFFAOYSA-N
XLogP2.39
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1'-(2-hydroxy-2-pyridin-3-ylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one with MolForge

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Related Compounds

2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol
CID 3044988
1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 176678107
1'-(pyridin-3-ylmethyl)spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one
CID 118740605
1'-[(3-methoxyphenyl)methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134795243
1'-[(2-methylpyrazol-3-yl)methyl]spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one
CID 134795744
ethane;1'-(4-methylphenyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 145015123
(1R)-1-phenyl-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]ethanol
CID 95322338
2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
CID 3044996
1'-methylspiro[1,4-dihydro-1,6-naphthyridine-3,4'-azepane]-2-one
CID 143217136
8-(2-hydroxy-2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 101161001
1'-(2-hydroxy-2-phenylethyl)-3-methylspiro[1H-quinazoline-4,4'-piperidine]-2-one
CID 3070091
1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134791811

Frequently Asked Questions

What is the IUPAC name of 1'-(2-hydroxy-2-pyridin-3-ylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(2-hydroxy-2-pyridin-3-ylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one (CID 166265649) is 1'-(2-hydroxy-2-pyridin-3-ylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(2-hydroxy-2-pyridin-3-ylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(2-hydroxy-2-pyridin-3-ylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one is O=C1Nc2ccccc2CC12CCN(CC(O)c1cccnc1)CC2.
What is the InChIKey of 1'-(2-hydroxy-2-pyridin-3-ylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
The InChIKey is XFUKQIBPEOBVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-18(16-5-3-9-21-13-16)14-23-10-7-20(8-11-23)12-15-4-1-2-6-17(15)22-19(20)25/h1-6,9,13,18,24H,7-8,10-12,14H2,(H,22,25).
What are the key properties of 1'-(2-hydroxy-2-pyridin-3-ylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one?
1'-(2-hydroxy-2-pyridin-3-ylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one has a molecular weight of 337.42 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-hydroxy-2-pyridin-3-ylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one is sourced from PubChem (CID 166265649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).