2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one

C21H27N5O2 — CID 175645511

IUPAC2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1N(CCN2CCOCC2)CCC12CCN(c1cnc3ccccc3n1)C2
InChIInChI=1S/C21H27N5O2/c27-20-21(5-7-25(20)10-9-24-11-13-28-14-12-24)6-8-26(16-21)19-15-22-17-3-1-2-4-18(17)23-19/h1-4,15H,5-14,16H2
InChIKeyRCWCWJKXEZTWSI-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.39
Rot. Bonds4

About 2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one

2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175645511) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175645511
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1N(CCN2CCOCC2)CCC12CCN(c1cnc3ccccc3n1)C2
InChIInChI=1S/C21H27N5O2/c27-20-21(5-7-25(20)10-9-24-11-13-28-14-12-24)6-8-26(16-21)19-15-22-17-3-1-2-4-18(17)23-19/h1-4,15H,5-14,16H2
InChIKeyRCWCWJKXEZTWSI-UHFFFAOYSA-N
XLogP1.39
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one (CID 175645511) is 2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one is O=C1N(CCN2CCOCC2)CCC12CCN(c1cnc3ccccc3n1)C2.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is RCWCWJKXEZTWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c27-20-21(5-7-25(20)10-9-24-11-13-28-14-12-24)6-8-26(16-21)19-15-22-17-3-1-2-4-18(17)23-19/h1-4,15H,5-14,16H2.
What are the key properties of 2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one?
2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 381.48 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175645511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).