N-[(2R,3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl]-2-(4-chlorophenoxy)acetamide

C19H18ClN3O3 — CID 100703524

IUPACN-[(2R,3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N[C@@H]1C[C@H]2C(=O)Nc3ccccc3N2C1
InChIInChI=1S/C19H18ClN3O3/c20-12-5-7-14(8-6-12)26-11-18(24)21-13-9-17-19(25)22-15-3-1-2-4-16(15)23(17)10-13/h1-8,13,17H,9-11H2,(H,21,24)(H,22,25)/t13-,17+/m1/s1
InChIKeyYUABPFYSWACUIN-DYVFJYSZSA-N
MW371.82 g/mol
LogP2.43
Rot. Bonds4

About N-[(2R,3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl]-2-(4-chlorophenoxy)acetamide

N-[(2R,3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl]-2-(4-chlorophenoxy)acetamide (PubChem CID 100703524) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[(2R,3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2R,3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl]-2-(4-chlorophenoxy)acetamide
PubChem CID100703524
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-[(2R,3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N[C@@H]1C[C@H]2C(=O)Nc3ccccc3N2C1
InChIInChI=1S/C19H18ClN3O3/c20-12-5-7-14(8-6-12)26-11-18(24)21-13-9-17-19(25)22-15-3-1-2-4-16(15)23(17)10-13/h1-8,13,17H,9-11H2,(H,21,24)(H,22,25)/t13-,17+/m1/s1
InChIKeyYUABPFYSWACUIN-DYVFJYSZSA-N
XLogP2.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R,3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl]-2-(4-chlorophenoxy)acetamide with MolForge

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Related Compounds

2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-(4-chlorophenoxy)acetamide
CID 139517667
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
N-[(2S)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-2-phenoxyacetamide
CID 58956953
2-(4-chlorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 90888344
3-(2-chlorophenyl)-5-methyl-N-(4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl)-1,2-oxazole-4-carboxamide
CID 91813669
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
2-(4-chlorophenoxy)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 97039863
4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629
N-[(6aR,8R)-3-chloro-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-4-methoxybenzamide
CID 162805183
5-[(6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 85006390
2-(4-chlorophenoxy)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108554314

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[(2R,3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl]-2-(4-chlorophenoxy)acetamide (CID 100703524) is N-[(2R,3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[(2R,3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[(2R,3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)N[C@@H]1C[C@H]2C(=O)Nc3ccccc3N2C1.
What is the InChIKey of N-[(2R,3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is YUABPFYSWACUIN-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-12-5-7-14(8-6-12)26-11-18(24)21-13-9-17-19(25)22-15-3-1-2-4-16(15)23(17)10-13/h1-8,13,17H,9-11H2,(H,21,24)(H,22,25)/t13-,17+/m1/s1.
What are the key properties of N-[(2R,3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl]-2-(4-chlorophenoxy)acetamide?
N-[(2R,3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 371.82 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-2-yl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 100703524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).