7,8-difluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C18H14F2N2O2 — CID 73334924

IUPAC7,8-difluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCOc1ccc(-c2c(F)c(F)cc3cc4n(c23)CCNC4=O)cc1
InChIInChI=1S/C18H14F2N2O2/c1-24-12-4-2-10(3-5-12)15-16(20)13(19)8-11-9-14-18(23)21-6-7-22(14)17(11)15/h2-5,8-9H,6-7H2,1H3,(H,21,23)
InChIKeyDMJGDVFSDFBRGO-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.34
Rot. Bonds2

About 7,8-difluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

7,8-difluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 73334924) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is 7,8-difluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name7,8-difluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID73334924
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name7,8-difluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCOc1ccc(-c2c(F)c(F)cc3cc4n(c23)CCNC4=O)cc1
InChIInChI=1S/C18H14F2N2O2/c1-24-12-4-2-10(3-5-12)15-16(20)13(19)8-11-9-14-18(23)21-6-7-22(14)17(11)15/h2-5,8-9H,6-7H2,1H3,(H,21,23)
InChIKeyDMJGDVFSDFBRGO-UHFFFAOYSA-N
XLogP3.34
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 7,8-difluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 73334924) is 7,8-difluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 7,8-difluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 7,8-difluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is COc1ccc(-c2c(F)c(F)cc3cc4n(c23)CCNC4=O)cc1.
What is the InChIKey of 7,8-difluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is DMJGDVFSDFBRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c1-24-12-4-2-10(3-5-12)15-16(20)13(19)8-11-9-14-18(23)21-6-7-22(14)17(11)15/h2-5,8-9H,6-7H2,1H3,(H,21,23).
What are the key properties of 7,8-difluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
7,8-difluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 328.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 73334924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).