4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one

C24H23N3O4S — CID 3669900

IUPAC4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(OCC3CN(C(=O)CSc4cnc5ccccc5n4)CCO3)cccc21
InChIInChI=1S/C24H23N3O4S/c28-21-9-8-18-17(21)4-3-7-22(18)31-14-16-13-27(10-11-30-16)24(29)15-32-23-12-25-19-5-1-2-6-20(19)26-23/h1-7,12,16H,8-11,13-15H2
InChIKeyMBVQAGRCSFVUHC-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.16
Rot. Bonds6

About 4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one

4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one (PubChem CID 3669900) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
PubChem CID3669900
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(OCC3CN(C(=O)CSc4cnc5ccccc5n4)CCO3)cccc21
InChIInChI=1S/C24H23N3O4S/c28-21-9-8-18-17(21)4-3-7-22(18)31-14-16-13-27(10-11-30-16)24(29)15-32-23-12-25-19-5-1-2-6-20(19)26-23/h1-7,12,16H,8-11,13-15H2
InChIKeyMBVQAGRCSFVUHC-UHFFFAOYSA-N
XLogP3.16
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one with MolForge

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Related Compounds

4-[[4-[3-(2-phenylethenylsulfanyl)propanoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 3868696
4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 3397743
4-[[4-[(E)-2,3-diphenylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 74224630
4-[[4-(2-fluoropyridine-3-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 5103890
1-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-2-quinoxalin-2-ylsulfanylethanone
CID 3859253
4-[[4-(5-butylpyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 74224455
5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65454257
oxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 86748747
1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 3402504
1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-3-(1,3-benzothiazol-2-ylsulfanyl)propan-1-one
CID 3758604
(6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 92759778
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]ethanone
CID 5128261

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one?
The IUPAC name of 4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one (CID 3669900) is 4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one?
The canonical SMILES for 4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one is O=C1CCc2c(OCC3CN(C(=O)CSc4cnc5ccccc5n4)CCO3)cccc21.
What is the InChIKey of 4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one?
The InChIKey is MBVQAGRCSFVUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c28-21-9-8-18-17(21)4-3-7-22(18)31-14-16-13-27(10-11-30-16)24(29)15-32-23-12-25-19-5-1-2-6-20(19)26-23/h1-7,12,16H,8-11,13-15H2.
What are the key properties of 4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one?
4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one has a molecular weight of 449.53 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one is sourced from PubChem (CID 3669900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).