4-[2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]acetyl]-1,3-dihydroquinoxalin-2-one

C25H30N4O3 — CID 110162145

IUPAC4-[2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CN2CC[C@@]3(CCCN3Cc3ccccc3)[C@@H](O)C2)c2ccccc2N1
InChIInChI=1S/C25H30N4O3/c30-22-16-27(18-24(32)29-17-23(31)26-20-9-4-5-10-21(20)29)14-12-25(22)11-6-13-28(25)15-19-7-2-1-3-8-19/h1-5,7-10,22,30H,6,11-18H2,(H,26,31)/t22-,25-/m0/s1
InChIKeyDESVXEFBIKCTIT-DHLKQENFSA-N
MW434.54 g/mol
LogP2.07
Rot. Bonds4

About 4-[2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 110162145) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-[2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID110162145
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name4-[2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CN2CC[C@@]3(CCCN3Cc3ccccc3)[C@@H](O)C2)c2ccccc2N1
InChIInChI=1S/C25H30N4O3/c30-22-16-27(18-24(32)29-17-23(31)26-20-9-4-5-10-21(20)29)14-12-25(22)11-6-13-28(25)15-19-7-2-1-3-8-19/h1-5,7-10,22,30H,6,11-18H2,(H,26,31)/t22-,25-/m0/s1
InChIKeyDESVXEFBIKCTIT-DHLKQENFSA-N
XLogP2.07
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]acetyl]-1,3-dihydroquinoxalin-2-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 4-[2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]acetyl]-1,3-dihydroquinoxalin-2-one (CID 110162145) is 4-[2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]acetyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)CN2CC[C@@]3(CCCN3Cc3ccccc3)[C@@H](O)C2)c2ccccc2N1.
What is the InChIKey of 4-[2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is DESVXEFBIKCTIT-DHLKQENFSA-N. The full InChI is InChI=1S/C25H30N4O3/c30-22-16-27(18-24(32)29-17-23(31)26-20-9-4-5-10-21(20)29)14-12-25(22)11-6-13-28(25)15-19-7-2-1-3-8-19/h1-5,7-10,22,30H,6,11-18H2,(H,26,31)/t22-,25-/m0/s1.
What are the key properties of 4-[2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 434.54 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 110162145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).