2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one

C22H30N4O — CID 70785136

IUPAC2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)CCN1CC2(CCCN(c3cnc4ccccc4n3)C2)CCC1=O
InChIInChI=1S/C22H30N4O/c1-17(2)9-13-26-16-22(11-8-21(26)27)10-5-12-25(15-22)20-14-23-18-6-3-4-7-19(18)24-20/h3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3
InChIKeyGPFKAVWVUGHGGQ-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.88
Rot. Bonds4

About 2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one

2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70785136) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70785136
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)CCN1CC2(CCCN(c3cnc4ccccc4n3)C2)CCC1=O
InChIInChI=1S/C22H30N4O/c1-17(2)9-13-26-16-22(11-8-21(26)27)10-5-12-25(15-22)20-14-23-18-6-3-4-7-19(18)24-20/h3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3
InChIKeyGPFKAVWVUGHGGQ-UHFFFAOYSA-N
XLogP3.88
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 97117074
8-(3-fluoro-2-pyridinyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70746280
8-(benzenesulfonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70717072
2-[2-(1H-imidazol-5-yl)ethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 70759551
2-(3-methylbutyl)-8-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70739709
8-(3-hydroxypyridine-2-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70775506
2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 70779359
8-[2-(2-ethylimidazol-1-yl)acetyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70745324
1-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 72933840
2-(3-methylbutyl)-8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70714987
(6R)-8-[2-(N-methylanilino)acetyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97286005
8-(4,6-dimethylpyridine-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70712179

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one (CID 70785136) is 2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one is CC(C)CCN1CC2(CCCN(c3cnc4ccccc4n3)C2)CCC1=O.
What is the InChIKey of 2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is GPFKAVWVUGHGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-17(2)9-13-26-16-22(11-8-21(26)27)10-5-12-25(15-22)20-14-23-18-6-3-4-7-19(18)24-20/h3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3.
What are the key properties of 2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 366.51 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70785136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).