(5S)-7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one

C17H20N4O — CID 97142246

IUPAC(5S)-7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@@]2(CCN(c3cnc4ccccc4n3)C2)C1=O
InChIInChI=1S/C17H20N4O/c1-20-9-4-7-17(16(20)22)8-10-21(12-17)15-11-18-13-5-2-3-6-14(13)19-15/h2-3,5-6,11H,4,7-10,12H2,1H3/t17-/m0/s1
InChIKeyKKVCHIUSGSERBO-KRWDZBQOSA-N
MW296.37 g/mol
LogP2.08
Rot. Bonds1

About (5S)-7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97142246) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (5S)-7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97142246
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(5S)-7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@@]2(CCN(c3cnc4ccccc4n3)C2)C1=O
InChIInChI=1S/C17H20N4O/c1-20-9-4-7-17(16(20)22)8-10-21(12-17)15-11-18-13-5-2-3-6-14(13)19-15/h2-3,5-6,11H,4,7-10,12H2,1H3/t17-/m0/s1
InChIKeyKKVCHIUSGSERBO-KRWDZBQOSA-N
XLogP2.08
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-quinolin-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72881477
2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 175645511
(5R)-7-methyl-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97210264
6-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carbonitrile
CID 97155364
2-(1H-indol-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 67984473
(5S)-7-methyl-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 95715580
2-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile
CID 95189412
(5R)-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97155022
(5S)-2-(5-acetyl-4-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97191427
2-[[2-(furan-2-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
CID 53259294
3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid
CID 106983124
5-[(1-oxo-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]pyridine-2-carbonitrile
CID 67250957

Frequently Asked Questions

What is the IUPAC name of (5S)-7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 97142246) is (5S)-7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one is CN1CCC[C@@]2(CCN(c3cnc4ccccc4n3)C2)C1=O.
What is the InChIKey of (5S)-7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is KKVCHIUSGSERBO-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N4O/c1-20-9-4-7-17(16(20)22)8-10-21(12-17)15-11-18-13-5-2-3-6-14(13)19-15/h2-3,5-6,11H,4,7-10,12H2,1H3/t17-/m0/s1.
What are the key properties of (5S)-7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 296.37 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97142246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).