1'-(3-indolo[3,2-b]quinoxalin-6-ylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C30H26N4O3 — CID 108734281

IUPAC1'-(3-indolo[3,2-b]quinoxalin-6-ylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)CCn3c4ccccc4c4nc5ccccc5nc43)CC2)Oc2ccccc21
InChIInChI=1S/C30H26N4O3/c35-25-19-30(37-26-12-6-2-8-21(25)26)14-17-33(18-15-30)27(36)13-16-34-24-11-5-1-7-20(24)28-29(34)32-23-10-4-3-9-22(23)31-28/h1-12H,13-19H2
InChIKeyRIYXDYLQTVPPQJ-UHFFFAOYSA-N
MW490.56 g/mol
LogP5.15
Rot. Bonds3

About 1'-(3-indolo[3,2-b]quinoxalin-6-ylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-(3-indolo[3,2-b]quinoxalin-6-ylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108734281) has the molecular formula C30H26N4O3 and a molecular weight of 490.56 g/mol. Its IUPAC name is 1'-(3-indolo[3,2-b]quinoxalin-6-ylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(3-indolo[3,2-b]quinoxalin-6-ylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108734281
Molecular FormulaC30H26N4O3
Molecular Weight490.56 g/mol
Exact Mass490.20
IUPAC Name1'-(3-indolo[3,2-b]quinoxalin-6-ylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)CCn3c4ccccc4c4nc5ccccc5nc43)CC2)Oc2ccccc21
InChIInChI=1S/C30H26N4O3/c35-25-19-30(37-26-12-6-2-8-21(25)26)14-17-33(18-15-30)27(36)13-16-34-24-11-5-1-7-20(24)28-29(34)32-23-10-4-3-9-22(23)31-28/h1-12H,13-19H2
InChIKeyRIYXDYLQTVPPQJ-UHFFFAOYSA-N
XLogP5.15
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1'-(3-indolo[3,2-b]quinoxalin-6-ylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

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Related Compounds

1'-[3-(1,2,4-triazol-4-yl)propanoyl]spiro[3H-chromene-2,4'-azepane]-4-one
CID 164695858
1'-[3-(4-oxoquinazolin-3-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586258
1'-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734214
[2-oxo-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)ethyl]urea
CID 164695148
1'-(5-pyridin-3-ylpentanoyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164690880
1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
1'-[4-(4-chlorophenoxy)butanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757646
1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 126468398
1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260607
2-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoic acid
CID 7260656
2-[4-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-oxobutyl]isoindole-1,3-dione
CID 108758208
1'-[3-[4-(trifluoromethyl)phenyl]propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586180

Frequently Asked Questions

What is the IUPAC name of 1'-(3-indolo[3,2-b]quinoxalin-6-ylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(3-indolo[3,2-b]quinoxalin-6-ylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108734281) is 1'-(3-indolo[3,2-b]quinoxalin-6-ylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(3-indolo[3,2-b]quinoxalin-6-ylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(3-indolo[3,2-b]quinoxalin-6-ylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)CCn3c4ccccc4c4nc5ccccc5nc43)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(3-indolo[3,2-b]quinoxalin-6-ylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is RIYXDYLQTVPPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O3/c35-25-19-30(37-26-12-6-2-8-21(25)26)14-17-33(18-15-30)27(36)13-16-34-24-11-5-1-7-20(24)28-29(34)32-23-10-4-3-9-22(23)31-28/h1-12H,13-19H2.
What are the key properties of 1'-(3-indolo[3,2-b]quinoxalin-6-ylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(3-indolo[3,2-b]quinoxalin-6-ylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 490.56 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-indolo[3,2-b]quinoxalin-6-ylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108734281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).