(5R)-2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C22H29N3O3 — CID 97195385

IUPAC(5R)-2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@]2(CCN(c3nc4c(C)cccc4cc3CO)C2)C1=O
InChIInChI=1S/C22H29N3O3/c1-16-5-3-6-17-13-18(14-26)20(23-19(16)17)25-10-8-22(15-25)7-4-9-24(21(22)27)11-12-28-2/h3,5-6,13,26H,4,7-12,14-15H2,1-2H3/t22-/m1/s1
InChIKeyALMMRWASIYDBAG-JOCHJYFZSA-N
MW383.49 g/mol
LogP2.50
Rot. Bonds5

About (5R)-2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97195385) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is (5R)-2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97195385
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name(5R)-2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@]2(CCN(c3nc4c(C)cccc4cc3CO)C2)C1=O
InChIInChI=1S/C22H29N3O3/c1-16-5-3-6-17-13-18(14-26)20(23-19(16)17)25-10-8-22(15-25)7-4-9-24(21(22)27)11-12-28-2/h3,5-6,13,26H,4,7-12,14-15H2,1-2H3/t22-/m1/s1
InChIKeyALMMRWASIYDBAG-JOCHJYFZSA-N
XLogP2.50
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-7-(2-methoxyethyl)-2-(4,7,8-trimethylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195240
(5R)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97187615
(5S)-7-(2-methoxyethyl)-2-(8-methoxyquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97197201
2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-5,6-dimethylpyridine-3-carbonitrile
CID 97192168
(5R)-7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97117399
(5R)-2-[1-(2-hydroxyethyl)benzimidazol-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97193495
7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72840019
(5R)-7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97126852
(5R)-2-(3,5-dichloro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97205529
2-(4-ethyl-5-methylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72937971
7-(2-methoxyethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45190498
(5R)-2-(6-ethyl-4-methylquinolin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97208542

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97195385) is (5R)-2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCC[C@]2(CCN(c3nc4c(C)cccc4cc3CO)C2)C1=O.
What is the InChIKey of (5R)-2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ALMMRWASIYDBAG-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-16-5-3-6-17-13-18(14-26)20(23-19(16)17)25-10-8-22(15-25)7-4-9-24(21(22)27)11-12-28-2/h3,5-6,13,26H,4,7-12,14-15H2,1-2H3/t22-/m1/s1.
What are the key properties of (5R)-2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 383.49 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97195385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).