8-chloro-6-(4-chlorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(3,4-difluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C54H41Cl4F3N6O3 — CID 90036896

IUPAC8-chloro-6-(4-chlorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(3,4-difluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCc1c2n(c3c(-c4ccc(Cl)cc4)cc(Cl)cc13)CCNC2=O.Cc1c2n(c3c(-c4ccc(F)c(F)c4)cc(Cl)cc13)CCNC2=O.Cc1c2n(c3c(-c4ccc(F)cc4)cc(Cl)cc13)CCNC2=O
InChIInChI=1S/C18H14Cl2N2O.C18H13ClF2N2O.C18H14ClFN2O/c1-10-14-8-13(20)9-15(11-2-4-12(19)5-3-11)17(14)22-7-6-21-18(23)16(10)22;1-9-12-7-11(19)8-13(10-2-3-14(20)15(21)6-10)17(12)23-5-4-22-18(24)16(9)23;1-10-14-8-12(19)9-15(11-2-4-13(20)5-3-11)17(14)22-7-6-21-18(23)16(10)22/h2-5,8-9H,6-7H2,1H3,(H,21,23);2-3,6-8H,4-5H2,1H3,(H,22,24);2-5,8-9H,6-7H2,1H3,(H,21,23)
InChIKeyGHUQKGVSHXSPMQ-UHFFFAOYSA-N
MW1020.77 g/mol
LogP13.11
Rot. Bonds3

About 8-chloro-6-(4-chlorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(3,4-difluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

8-chloro-6-(4-chlorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(3,4-difluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 90036896) has the molecular formula C54H41Cl4F3N6O3 and a molecular weight of 1020.77 g/mol. Its IUPAC name is 8-chloro-6-(4-chlorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(3,4-difluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name8-chloro-6-(4-chlorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(3,4-difluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID90036896
Molecular FormulaC54H41Cl4F3N6O3
Molecular Weight1020.77 g/mol
Exact Mass1018.19
IUPAC Name8-chloro-6-(4-chlorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(3,4-difluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCc1c2n(c3c(-c4ccc(Cl)cc4)cc(Cl)cc13)CCNC2=O.Cc1c2n(c3c(-c4ccc(F)c(F)c4)cc(Cl)cc13)CCNC2=O.Cc1c2n(c3c(-c4ccc(F)cc4)cc(Cl)cc13)CCNC2=O
InChIInChI=1S/C18H14Cl2N2O.C18H13ClF2N2O.C18H14ClFN2O/c1-10-14-8-13(20)9-15(11-2-4-12(19)5-3-11)17(14)22-7-6-21-18(23)16(10)22;1-9-12-7-11(19)8-13(10-2-3-14(20)15(21)6-10)17(12)23-5-4-22-18(24)16(9)23;1-10-14-8-12(19)9-15(11-2-4-13(20)5-3-11)17(14)22-7-6-21-18(23)16(10)22/h2-5,8-9H,6-7H2,1H3,(H,21,23);2-3,6-8H,4-5H2,1H3,(H,22,24);2-5,8-9H,6-7H2,1H3,(H,21,23)
InChIKeyGHUQKGVSHXSPMQ-UHFFFAOYSA-N
XLogP13.11
TPSA102.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001020.77
LogP ≤ 513.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 8-chloro-6-(4-chlorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(3,4-difluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(4-chlorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(3,4-difluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 8-chloro-6-(4-chlorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(3,4-difluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 90036896) is 8-chloro-6-(4-chlorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(3,4-difluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 8-chloro-6-(4-chlorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(3,4-difluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 8-chloro-6-(4-chlorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(3,4-difluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is Cc1c2n(c3c(-c4ccc(Cl)cc4)cc(Cl)cc13)CCNC2=O.Cc1c2n(c3c(-c4ccc(F)c(F)c4)cc(Cl)cc13)CCNC2=O.Cc1c2n(c3c(-c4ccc(F)cc4)cc(Cl)cc13)CCNC2=O.
What is the InChIKey of 8-chloro-6-(4-chlorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(3,4-difluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is GHUQKGVSHXSPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O.C18H13ClF2N2O.C18H14ClFN2O/c1-10-14-8-13(20)9-15(11-2-4-12(19)5-3-11)17(14)22-7-6-21-18(23)16(10)22;1-9-12-7-11(19)8-13(10-2-3-14(20)15(21)6-10)17(12)23-5-4-22-18(24)16(9)23;1-10-14-8-12(19)9-15(11-2-4-13(20)5-3-11)17(14)22-7-6-21-18(23)16(10)22/h2-5,8-9H,6-7H2,1H3,(H,21,23);2-3,6-8H,4-5H2,1H3,(H,22,24);2-5,8-9H,6-7H2,1H3,(H,21,23).
What are the key properties of 8-chloro-6-(4-chlorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(3,4-difluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
8-chloro-6-(4-chlorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(3,4-difluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 1020.77 g/mol, XLogP of 13.11, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(4-chlorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(3,4-difluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-fluorophenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 90036896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).