1'-(3,4-dihydro-2H-chromene-6-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C22H23N3O3 — CID 70761308

IUPAC1'-(3,4-dihydro-2H-chromene-6-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C(c1ccc2c(c1)CCCO2)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C22H23N3O3/c26-20(16-7-8-19-15(14-16)4-3-13-28-19)25-11-9-22(10-12-25)21(27)23-17-5-1-2-6-18(17)24-22/h1-2,5-8,14,24H,3-4,9-13H2,(H,23,27)
InChIKeyJFJIXWHKKXUQSQ-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.05
Rot. Bonds1

About 1'-(3,4-dihydro-2H-chromene-6-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-(3,4-dihydro-2H-chromene-6-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70761308) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1'-(3,4-dihydro-2H-chromene-6-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(3,4-dihydro-2H-chromene-6-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70761308
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1'-(3,4-dihydro-2H-chromene-6-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C(c1ccc2c(c1)CCCO2)N1CCC2(CC1)Nc1ccccc1NC2=O
InChIInChI=1S/C22H23N3O3/c26-20(16-7-8-19-15(14-16)4-3-13-28-19)25-11-9-22(10-12-25)21(27)23-17-5-1-2-6-18(17)24-22/h1-2,5-8,14,24H,3-4,9-13H2,(H,23,27)
InChIKeyJFJIXWHKKXUQSQ-UHFFFAOYSA-N
XLogP3.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(3,4-dihydro-2H-chromene-6-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(3,4-dihydro-2H-chromene-6-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70761308) is 1'-(3,4-dihydro-2H-chromene-6-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(3,4-dihydro-2H-chromene-6-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(3,4-dihydro-2H-chromene-6-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is O=C(c1ccc2c(c1)CCCO2)N1CCC2(CC1)Nc1ccccc1NC2=O.
What is the InChIKey of 1'-(3,4-dihydro-2H-chromene-6-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is JFJIXWHKKXUQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-20(16-7-8-19-15(14-16)4-3-13-28-19)25-11-9-22(10-12-25)21(27)23-17-5-1-2-6-18(17)24-22/h1-2,5-8,14,24H,3-4,9-13H2,(H,23,27).
What are the key properties of 1'-(3,4-dihydro-2H-chromene-6-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-(3,4-dihydro-2H-chromene-6-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 377.44 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3,4-dihydro-2H-chromene-6-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70761308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).