1'-(2-hydroxy-2-phenylethyl)-3-methylspiro[1H-quinazoline-4,4'-piperidine]-2-one

C21H25N3O2 — CID 3070091

IUPAC1'-(2-hydroxy-2-phenylethyl)-3-methylspiro[1H-quinazoline-4,4'-piperidine]-2-one
SMILESCN1C(=O)Nc2ccccc2C12CCN(CC(O)c1ccccc1)CC2
InChIInChI=1S/C21H25N3O2/c1-23-20(26)22-18-10-6-5-9-17(18)21(23)11-13-24(14-12-21)15-19(25)16-7-3-2-4-8-16/h2-10,19,25H,11-15H2,1H3,(H,22,26)
InChIKeyQIHMYFUNGPFYKX-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.19
Rot. Bonds3

About 1'-(2-hydroxy-2-phenylethyl)-3-methylspiro[1H-quinazoline-4,4'-piperidine]-2-one

1'-(2-hydroxy-2-phenylethyl)-3-methylspiro[1H-quinazoline-4,4'-piperidine]-2-one (PubChem CID 3070091) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1'-(2-hydroxy-2-phenylethyl)-3-methylspiro[1H-quinazoline-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(2-hydroxy-2-phenylethyl)-3-methylspiro[1H-quinazoline-4,4'-piperidine]-2-one
PubChem CID3070091
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1'-(2-hydroxy-2-phenylethyl)-3-methylspiro[1H-quinazoline-4,4'-piperidine]-2-one
SMILESCN1C(=O)Nc2ccccc2C12CCN(CC(O)c1ccccc1)CC2
InChIInChI=1S/C21H25N3O2/c1-23-20(26)22-18-10-6-5-9-17(18)21(23)11-13-24(14-12-21)15-19(25)16-7-3-2-4-8-16/h2-10,19,25H,11-15H2,1H3,(H,22,26)
InChIKeyQIHMYFUNGPFYKX-UHFFFAOYSA-N
XLogP3.19
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-hydroxy-2-phenylethyl)-3-methylspiro[1H-quinazoline-4,4'-piperidine]-2-one?
The IUPAC name of 1'-(2-hydroxy-2-phenylethyl)-3-methylspiro[1H-quinazoline-4,4'-piperidine]-2-one (CID 3070091) is 1'-(2-hydroxy-2-phenylethyl)-3-methylspiro[1H-quinazoline-4,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(2-hydroxy-2-phenylethyl)-3-methylspiro[1H-quinazoline-4,4'-piperidine]-2-one?
The canonical SMILES for 1'-(2-hydroxy-2-phenylethyl)-3-methylspiro[1H-quinazoline-4,4'-piperidine]-2-one is CN1C(=O)Nc2ccccc2C12CCN(CC(O)c1ccccc1)CC2.
What is the InChIKey of 1'-(2-hydroxy-2-phenylethyl)-3-methylspiro[1H-quinazoline-4,4'-piperidine]-2-one?
The InChIKey is QIHMYFUNGPFYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-23-20(26)22-18-10-6-5-9-17(18)21(23)11-13-24(14-12-21)15-19(25)16-7-3-2-4-8-16/h2-10,19,25H,11-15H2,1H3,(H,22,26).
What are the key properties of 1'-(2-hydroxy-2-phenylethyl)-3-methylspiro[1H-quinazoline-4,4'-piperidine]-2-one?
1'-(2-hydroxy-2-phenylethyl)-3-methylspiro[1H-quinazoline-4,4'-piperidine]-2-one has a molecular weight of 351.45 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-hydroxy-2-phenylethyl)-3-methylspiro[1H-quinazoline-4,4'-piperidine]-2-one is sourced from PubChem (CID 3070091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).