8-hydroxy-3-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

C23H27N3O2 — CID 22509365

IUPAC8-hydroxy-3-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCN1CC2(CCN(CC3Cc4cccc(O)c4NC3=O)CC2)c2ccccc21
InChIInChI=1S/C23H27N3O2/c1-25-15-23(18-6-2-3-7-19(18)25)9-11-26(12-10-23)14-17-13-16-5-4-8-20(27)21(16)24-22(17)28/h2-8,17,27H,9-15H2,1H3,(H,24,28)
InChIKeyZVZSQEXBYIFOAE-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.99
Rot. Bonds2

About 8-hydroxy-3-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

8-hydroxy-3-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 22509365) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 8-hydroxy-3-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-3-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID22509365
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name8-hydroxy-3-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCN1CC2(CCN(CC3Cc4cccc(O)c4NC3=O)CC2)c2ccccc21
InChIInChI=1S/C23H27N3O2/c1-25-15-23(18-6-2-3-7-19(18)25)9-11-26(12-10-23)14-17-13-16-5-4-8-20(27)21(16)24-22(17)28/h2-8,17,27H,9-15H2,1H3,(H,24,28)
InChIKeyZVZSQEXBYIFOAE-UHFFFAOYSA-N
XLogP2.99
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-hydroxy-3-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 22509365) is 8-hydroxy-3-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-hydroxy-3-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-hydroxy-3-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is CN1CC2(CCN(CC3Cc4cccc(O)c4NC3=O)CC2)c2ccccc21.
What is the InChIKey of 8-hydroxy-3-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZVZSQEXBYIFOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-25-15-23(18-6-2-3-7-19(18)25)9-11-26(12-10-23)14-17-13-16-5-4-8-20(27)21(16)24-22(17)28/h2-8,17,27H,9-15H2,1H3,(H,24,28).
What are the key properties of 8-hydroxy-3-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
8-hydroxy-3-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 377.49 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 22509365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).