8-chloro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C35H27Cl2FN4O3 — CID 158783229

IUPAC8-chloro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCOc1ccc(-c2cc(Cl)cc3cc4n(c23)CCNC4=O)cc1.O=C1NCCn2c1cc1cc(Cl)cc(-c3ccc(F)cc3)c12
InChIInChI=1S/C18H15ClN2O2.C17H12ClFN2O/c1-23-14-4-2-11(3-5-14)15-10-13(19)8-12-9-16-18(22)20-6-7-21(16)17(12)15;18-12-7-11-8-15-17(22)20-5-6-21(15)16(11)14(9-12)10-1-3-13(19)4-2-10/h2-5,8-10H,6-7H2,1H3,(H,20,22);1-4,7-9H,5-6H2,(H,20,22)
InChIKeyIRIRAPKRPSCYMX-UHFFFAOYSA-N
MW641.53 g/mol
LogP7.56
Rot. Bonds3

About 8-chloro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

8-chloro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 158783229) has the molecular formula C35H27Cl2FN4O3 and a molecular weight of 641.53 g/mol. Its IUPAC name is 8-chloro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name8-chloro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID158783229
Molecular FormulaC35H27Cl2FN4O3
Molecular Weight641.53 g/mol
Exact Mass640.14
IUPAC Name8-chloro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCOc1ccc(-c2cc(Cl)cc3cc4n(c23)CCNC4=O)cc1.O=C1NCCn2c1cc1cc(Cl)cc(-c3ccc(F)cc3)c12
InChIInChI=1S/C18H15ClN2O2.C17H12ClFN2O/c1-23-14-4-2-11(3-5-14)15-10-13(19)8-12-9-16-18(22)20-6-7-21(16)17(12)15;18-12-7-11-8-15-17(22)20-5-6-21(15)16(11)14(9-12)10-1-3-13(19)4-2-10/h2-5,8-10H,6-7H2,1H3,(H,20,22);1-4,7-9H,5-6H2,(H,20,22)
InChIKeyIRIRAPKRPSCYMX-UHFFFAOYSA-N
XLogP7.56
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.53
LogP ≤ 57.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-chloro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one with MolForge

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Related Compounds

7,8-difluoro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;9,10-difluoro-7-(4-methoxyphenyl)-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
CID 90036372
9-chloro-7-(3,4-difluorophenyl)-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
CID 90035894
9-chloro-7-(4-methoxyphenyl)-11-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
CID 73335108
7-(4-fluorophenyl)-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-9-carbonitrile
CID 118341184
6,9-dimethoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 10911822
7-(4-chlorophenyl)-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-9-carbonitrile
CID 90036088
6-(4-chlorophenyl)-8-fluoro-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-fluoro-6-(4-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 159133405
7-(4-chloro-2-fluorophenyl)-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-9-carbonitrile;6-(3,5-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile;7-(2,4-difluorophenyl)-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-9-carbonitrile
CID 90036522
6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 90036902
1-oxo-6-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile
CID 90035947
6-[4-(hydroxymethyl)phenyl]-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile;7-(4-methoxyphenyl)-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-9-carbonitrile;10-methyl-6-(4-nitrophenyl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile
CID 90035992
8-chloro-6-(3-fluoro-4-methylphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-10-methyl-6-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 157410447

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 8-chloro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 158783229) is 8-chloro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 8-chloro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 8-chloro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is COc1ccc(-c2cc(Cl)cc3cc4n(c23)CCNC4=O)cc1.O=C1NCCn2c1cc1cc(Cl)cc(-c3ccc(F)cc3)c12.
What is the InChIKey of 8-chloro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is IRIRAPKRPSCYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2.C17H12ClFN2O/c1-23-14-4-2-11(3-5-14)15-10-13(19)8-12-9-16-18(22)20-6-7-21(16)17(12)15;18-12-7-11-8-15-17(22)20-5-6-21(15)16(11)14(9-12)10-1-3-13(19)4-2-10/h2-5,8-10H,6-7H2,1H3,(H,20,22);1-4,7-9H,5-6H2,(H,20,22).
What are the key properties of 8-chloro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
8-chloro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 641.53 g/mol, XLogP of 7.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 158783229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).