(2R)-3-(8-quinolin-6-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol

C20H27N3O2 — CID 95868082

IUPAC(2R)-3-(8-quinolin-6-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol
SMILESOC[C@H](O)CN1CCCC12CCN(c1ccc3ncccc3c1)CC2
InChIInChI=1S/C20H27N3O2/c24-15-18(25)14-23-10-2-6-20(23)7-11-22(12-8-20)17-4-5-19-16(13-17)3-1-9-21-19/h1,3-5,9,13,18,24-25H,2,6-8,10-12,14-15H2/t18-/m1/s1
InChIKeyINJMZVYVAUIYED-GOSISDBHSA-N
MW341.45 g/mol
LogP2.02
Rot. Bonds4

About (2R)-3-(8-quinolin-6-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol

(2R)-3-(8-quinolin-6-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol (PubChem CID 95868082) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2R)-3-(8-quinolin-6-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(8-quinolin-6-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol
PubChem CID95868082
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name(2R)-3-(8-quinolin-6-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol
SMILESOC[C@H](O)CN1CCCC12CCN(c1ccc3ncccc3c1)CC2
InChIInChI=1S/C20H27N3O2/c24-15-18(25)14-23-10-2-6-20(23)7-11-22(12-8-20)17-4-5-19-16(13-17)3-1-9-21-19/h1,3-5,9,13,18,24-25H,2,6-8,10-12,14-15H2/t18-/m1/s1
InChIKeyINJMZVYVAUIYED-GOSISDBHSA-N
XLogP2.02
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-3-(8-quinolin-6-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol with MolForge

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Related Compounds

6-(1,4-diazepan-1-yl)quinoline
CID 62635992
6-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 110454797
6-(2,7-diazaspiro[4.4]nonan-2-yl)quinoline
CID 82537940
1-(1-benzothiophen-3-yl)-3-(4-quinolin-6-ylpiperazin-1-yl)propan-1-ol
CID 10179327
3-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol
CID 144811689
N-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine
CID 62634247
2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol
CID 116660148
2-pyridin-2-yl-6-pyrrolidin-1-ylquinoline
CID 11854252
(1-methylcyclopentyl)-quinolin-6-ylmethanol
CID 115826798
2-methyl-2-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol
CID 81219930
1-[(2R)-2-hydroxy-3-quinolin-6-yloxypropyl]piperidine-4-carboxylic acid
CID 68574034
[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
CID 7016270

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(8-quinolin-6-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol?
The IUPAC name of (2R)-3-(8-quinolin-6-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol (CID 95868082) is (2R)-3-(8-quinolin-6-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol.
What is the SMILES notation for (2R)-3-(8-quinolin-6-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol?
The canonical SMILES for (2R)-3-(8-quinolin-6-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol is OC[C@H](O)CN1CCCC12CCN(c1ccc3ncccc3c1)CC2.
What is the InChIKey of (2R)-3-(8-quinolin-6-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol?
The InChIKey is INJMZVYVAUIYED-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-15-18(25)14-23-10-2-6-20(23)7-11-22(12-8-20)17-4-5-19-16(13-17)3-1-9-21-19/h1,3-5,9,13,18,24-25H,2,6-8,10-12,14-15H2/t18-/m1/s1.
What are the key properties of (2R)-3-(8-quinolin-6-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol?
(2R)-3-(8-quinolin-6-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol has a molecular weight of 341.45 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(8-quinolin-6-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol is sourced from PubChem (CID 95868082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).