2-[(3-pyridin-3-ylphenyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

C29H29N5O — CID 53259278

IUPAC2-[(3-pyridin-3-ylphenyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2cccc(-c3cccnc3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2
InChIInChI=1S/C29H29N5O/c35-28-29(12-16-33(17-13-29)27-20-31-25-9-1-2-10-26(25)32-27)11-5-15-34(28)21-22-6-3-7-23(18-22)24-8-4-14-30-19-24/h1-4,6-10,14,18-20H,5,11-13,15-17,21H2
InChIKeyCWYFTFBSOGXBMH-UHFFFAOYSA-N
MW463.59 g/mol
LogP5.10
Rot. Bonds4

About 2-[(3-pyridin-3-ylphenyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

2-[(3-pyridin-3-ylphenyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 53259278) has the molecular formula C29H29N5O and a molecular weight of 463.59 g/mol. Its IUPAC name is 2-[(3-pyridin-3-ylphenyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-[(3-pyridin-3-ylphenyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID53259278
Molecular FormulaC29H29N5O
Molecular Weight463.59 g/mol
Exact Mass463.24
IUPAC Name2-[(3-pyridin-3-ylphenyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2cccc(-c3cccnc3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2
InChIInChI=1S/C29H29N5O/c35-28-29(12-16-33(17-13-29)27-20-31-25-9-1-2-10-26(25)32-27)11-5-15-34(28)21-22-6-3-7-23(18-22)24-8-4-14-30-19-24/h1-4,6-10,14,18-20H,5,11-13,15-17,21H2
InChIKeyCWYFTFBSOGXBMH-UHFFFAOYSA-N
XLogP5.10
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.59
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3-pyridin-3-ylphenyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyridin-3-ylphenyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-[(3-pyridin-3-ylphenyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (CID 53259278) is 2-[(3-pyridin-3-ylphenyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-[(3-pyridin-3-ylphenyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-[(3-pyridin-3-ylphenyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is O=C1N(Cc2cccc(-c3cccnc3)c2)CCCC12CCN(c1cnc3ccccc3n1)CC2.
What is the InChIKey of 2-[(3-pyridin-3-ylphenyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is CWYFTFBSOGXBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O/c35-28-29(12-16-33(17-13-29)27-20-31-25-9-1-2-10-26(25)32-27)11-5-15-34(28)21-22-6-3-7-23(18-22)24-8-4-14-30-19-24/h1-4,6-10,14,18-20H,5,11-13,15-17,21H2.
What are the key properties of 2-[(3-pyridin-3-ylphenyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
2-[(3-pyridin-3-ylphenyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 463.59 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyridin-3-ylphenyl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 53259278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).