(5R)-7-(3-methoxypropyl)-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C22H29N3O2 — CID 97195471

IUPAC(5R)-7-(3-methoxypropyl)-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCCN1CCC[C@]2(CCN(c3cc(C)nc4ccccc34)C2)C1=O
InChIInChI=1S/C22H29N3O2/c1-17-15-20(18-7-3-4-8-19(18)23-17)25-13-10-22(16-25)9-5-11-24(21(22)26)12-6-14-27-2/h3-4,7-8,15H,5-6,9-14,16H2,1-2H3/t22-/m1/s1
InChIKeyWFAWDVNUWXIIGE-JOCHJYFZSA-N
MW367.49 g/mol
LogP3.40
Rot. Bonds5

About (5R)-7-(3-methoxypropyl)-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(3-methoxypropyl)-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97195471) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (5R)-7-(3-methoxypropyl)-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(3-methoxypropyl)-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97195471
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(5R)-7-(3-methoxypropyl)-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCCN1CCC[C@]2(CCN(c3cc(C)nc4ccccc34)C2)C1=O
InChIInChI=1S/C22H29N3O2/c1-17-15-20(18-7-3-4-8-19(18)23-17)25-13-10-22(16-25)9-5-11-24(21(22)26)12-6-14-27-2/h3-4,7-8,15H,5-6,9-14,16H2,1-2H3/t22-/m1/s1
InChIKeyWFAWDVNUWXIIGE-JOCHJYFZSA-N
XLogP3.40
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-7-methyl-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97210264
(5R)-7-[(4-fluorophenyl)methyl]-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 95861653
(5R)-2-[1-(2-hydroxyethyl)benzimidazol-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97193495
(5R)-2-(6-ethyl-4-methylquinolin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97208542
(5R)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97187615
(5R)-7-(2-methoxyethyl)-2-(4,7,8-trimethylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195240
(5R)-7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97109976
7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 70731887
7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72845384
(5R)-2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195385
(5R)-3-methyl-9-(2-methylquinolin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95876805
7-(2-methoxyethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45190498

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(3-methoxypropyl)-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(3-methoxypropyl)-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 97195471) is (5R)-7-(3-methoxypropyl)-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(3-methoxypropyl)-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(3-methoxypropyl)-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is COCCCN1CCC[C@]2(CCN(c3cc(C)nc4ccccc34)C2)C1=O.
What is the InChIKey of (5R)-7-(3-methoxypropyl)-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is WFAWDVNUWXIIGE-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17-15-20(18-7-3-4-8-19(18)23-17)25-13-10-22(16-25)9-5-11-24(21(22)26)12-6-14-27-2/h3-4,7-8,15H,5-6,9-14,16H2,1-2H3/t22-/m1/s1.
What are the key properties of (5R)-7-(3-methoxypropyl)-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(3-methoxypropyl)-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 367.49 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(3-methoxypropyl)-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97195471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).