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

C24H28N2O2 — CID 10309320

IUPAC8-(hydroxymethyl)-3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2c(CO)cccc2CC1CN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C24H28N2O2/c27-16-19-6-3-5-18-14-20(23(28)25-22(18)19)15-26-12-10-24(11-13-26)9-8-17-4-1-2-7-21(17)24/h1-7,20,27H,8-16H2,(H,25,28)
InChIKeyMLZHDQOUCBXCKT-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.27
Rot. Bonds3

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

8-(hydroxymethyl)-3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 10309320) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 8-(hydroxymethyl)-3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-(hydroxymethyl)-3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID10309320
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name8-(hydroxymethyl)-3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2c(CO)cccc2CC1CN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C24H28N2O2/c27-16-19-6-3-5-18-14-20(23(28)25-22(18)19)15-26-12-10-24(11-13-26)9-8-17-4-1-2-7-21(17)24/h1-7,20,27H,8-16H2,(H,25,28)
InChIKeyMLZHDQOUCBXCKT-UHFFFAOYSA-N
XLogP3.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(hydroxymethyl)-3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-(hydroxymethyl)-3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-quinolin-2-one (CID 10309320) is 8-(hydroxymethyl)-3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-(hydroxymethyl)-3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-(hydroxymethyl)-3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-quinolin-2-one is O=C1Nc2c(CO)cccc2CC1CN1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of 8-(hydroxymethyl)-3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MLZHDQOUCBXCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-16-19-6-3-5-18-14-20(23(28)25-22(18)19)15-26-12-10-24(11-13-26)9-8-17-4-1-2-7-21(17)24/h1-7,20,27H,8-16H2,(H,25,28).
What are the key properties of 8-(hydroxymethyl)-3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
8-(hydroxymethyl)-3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 376.50 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxymethyl)-3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 10309320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).