2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

C27H32N6O2 — CID 53259123

IUPAC2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2ccnc(N3CCOCC3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2
InChIInChI=1S/C27H32N6O2/c34-26-27(8-12-31(13-9-27)25-19-29-22-4-1-2-5-23(22)30-25)7-3-11-33(26)20-21-6-10-28-24(18-21)32-14-16-35-17-15-32/h1-2,4-6,10,18-19H,3,7-9,11-17,20H2
InChIKeySTTVZTQRVDUOOY-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.27
Rot. Bonds4

About 2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 53259123) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID53259123
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC Name2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2ccnc(N3CCOCC3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2
InChIInChI=1S/C27H32N6O2/c34-26-27(8-12-31(13-9-27)25-19-29-22-4-1-2-5-23(22)30-25)7-3-11-33(26)20-21-6-10-28-24(18-21)32-14-16-35-17-15-32/h1-2,4-6,10,18-19H,3,7-9,11-17,20H2
InChIKeySTTVZTQRVDUOOY-UHFFFAOYSA-N
XLogP3.27
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (CID 53259123) is 2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is O=C1N(Cc2ccnc(N3CCOCC3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2.
What is the InChIKey of 2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is STTVZTQRVDUOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2/c34-26-27(8-12-31(13-9-27)25-19-29-22-4-1-2-5-23(22)30-25)7-3-11-33(26)20-21-6-10-28-24(18-21)32-14-16-35-17-15-32/h1-2,4-6,10,18-19H,3,7-9,11-17,20H2.
What are the key properties of 2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 472.59 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 53259123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).