2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone

C19H17ClN2O — CID 110646911

IUPAC2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCn2c(cc3ccccc32)C1
InChIInChI=1S/C19H17ClN2O/c20-16-7-5-14(6-8-16)11-19(23)21-9-10-22-17(13-21)12-15-3-1-2-4-18(15)22/h1-8,12H,9-11,13H2
InChIKeyGFESOSIFHMTPLG-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.88
Rot. Bonds2

About 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone

2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone (PubChem CID 110646911) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone
PubChem CID110646911
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCn2c(cc3ccccc32)C1
InChIInChI=1S/C19H17ClN2O/c20-16-7-5-14(6-8-16)11-19(23)21-9-10-22-17(13-21)12-15-3-1-2-4-18(15)22/h1-8,12H,9-11,13H2
InChIKeyGFESOSIFHMTPLG-UHFFFAOYSA-N
XLogP3.88
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone
CID 110646913
2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)ethanone
CID 110872438
1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-(4-methoxyphenyl)propan-1-one
CID 110646946
2-[(4-chlorophenyl)methylsulfonyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole
CID 110646993
methyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
CID 110646938
2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone
CID 113087949
3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl(thiophen-2-yl)methanone
CID 110646888
1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one
CID 112536046
1-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-phenylethanone
CID 110872437
1-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazin-2-one
CID 110873659
2-(4-chlorophenyl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 113074065
2-[2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 108568401

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone (CID 110646911) is 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone is O=C(Cc1ccc(Cl)cc1)N1CCn2c(cc3ccccc32)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone?
The InChIKey is GFESOSIFHMTPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c20-16-7-5-14(6-8-16)11-19(23)21-9-10-22-17(13-21)12-15-3-1-2-4-18(15)22/h1-8,12H,9-11,13H2.
What are the key properties of 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone?
2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone has a molecular weight of 324.81 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone is sourced from PubChem (CID 110646911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).