1-benzyl-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one

C24H26N4O — CID 67251476

IUPAC1-benzyl-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1ccccc1
InChIInChI=1S/C24H26N4O/c29-23-11-6-12-24(28(23)18-19-7-2-1-3-8-19)13-15-27(16-14-24)22-17-25-20-9-4-5-10-21(20)26-22/h1-5,7-10,17H,6,11-16,18H2
InChIKeyOYVQUEIDYQCADD-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.18
Rot. Bonds3

About 1-benzyl-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one

1-benzyl-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one (PubChem CID 67251476) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-benzyl-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name1-benzyl-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one
PubChem CID67251476
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name1-benzyl-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1ccccc1
InChIInChI=1S/C24H26N4O/c29-23-11-6-12-24(28(23)18-19-7-2-1-3-8-19)13-15-27(16-14-24)22-17-25-20-9-4-5-10-21(20)26-22/h1-5,7-10,17H,6,11-16,18H2
InChIKeyOYVQUEIDYQCADD-UHFFFAOYSA-N
XLogP4.18
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 1-benzyl-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one (CID 67251476) is 1-benzyl-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 1-benzyl-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 1-benzyl-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one is O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is OYVQUEIDYQCADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c29-23-11-6-12-24(28(23)18-19-7-2-1-3-8-19)13-15-27(16-14-24)22-17-25-20-9-4-5-10-21(20)26-22/h1-5,7-10,17H,6,11-16,18H2.
What are the key properties of 1-benzyl-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one?
1-benzyl-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 386.50 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 67251476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).