1'-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one

C24H23N3O4 — CID 108734214

IUPAC1'-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)CCc3nc4ccccc4[nH]c3=O)CC2)Oc2ccccc21
InChIInChI=1S/C24H23N3O4/c28-20-15-24(31-21-8-4-1-5-16(20)21)11-13-27(14-12-24)22(29)10-9-19-23(30)26-18-7-3-2-6-17(18)25-19/h1-8H,9-15H2,(H,26,30)
InChIKeyMUYSMVXLERYRNB-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.88
Rot. Bonds3

About 1'-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one

1'-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108734214) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 1'-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108734214
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name1'-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)CCc3nc4ccccc4[nH]c3=O)CC2)Oc2ccccc21
InChIInChI=1S/C24H23N3O4/c28-20-15-24(31-21-8-4-1-5-16(20)21)11-13-27(14-12-24)22(29)10-9-19-23(30)26-18-7-3-2-6-17(18)25-19/h1-8H,9-15H2,(H,26,30)
InChIKeyMUYSMVXLERYRNB-UHFFFAOYSA-N
XLogP2.88
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

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

Launch Full Analysis

Related Compounds

(5R)-3-methyl-9-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95719850
3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110799968
3-[3-[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 56910348
3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 23474428
3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one
CID 8853290
3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one
CID 110665541
1'-(3-indolo[3,2-b]quinoxalin-6-ylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734281
1'-[3-(1,2,4-triazol-4-yl)propanoyl]spiro[3H-chromene-2,4'-azepane]-4-one
CID 164695858
3-[3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110741171
3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 23474431
3-[3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 17430756
(5R)-9-[3-(1H-benzimidazol-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95720370

Frequently Asked Questions

What is the IUPAC name of 1'-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108734214) is 1'-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)CCc3nc4ccccc4[nH]c3=O)CC2)Oc2ccccc21.
What is the InChIKey of 1'-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is MUYSMVXLERYRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c28-20-15-24(31-21-8-4-1-5-16(20)21)11-13-27(14-12-24)22(29)10-9-19-23(30)26-18-7-3-2-6-17(18)25-19/h1-8H,9-15H2,(H,26,30).
What are the key properties of 1'-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 417.47 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108734214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).