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

C18H15FN2O2 — CID 90036587

IUPAC8-fluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCOc1ccc(-c2cc(F)cc3cc4n(c23)CCNC4=O)cc1
InChIInChI=1S/C18H15FN2O2/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/h2-5,8-10H,6-7H2,1H3,(H,20,22)
InChIKeyNDXQVAGMBWPNJO-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.20
Rot. Bonds2

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

8-fluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 90036587) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 8-fluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name8-fluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID90036587
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name8-fluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCOc1ccc(-c2cc(F)cc3cc4n(c23)CCNC4=O)cc1
InChIInChI=1S/C18H15FN2O2/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/h2-5,8-10H,6-7H2,1H3,(H,20,22)
InChIKeyNDXQVAGMBWPNJO-UHFFFAOYSA-N
XLogP3.20
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 8-fluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 90036587) is 8-fluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 8-fluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 8-fluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is COc1ccc(-c2cc(F)cc3cc4n(c23)CCNC4=O)cc1.
What is the InChIKey of 8-fluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is NDXQVAGMBWPNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/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/h2-5,8-10H,6-7H2,1H3,(H,20,22).
What are the key properties of 8-fluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
8-fluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 310.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 90036587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).