8-fluoro-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C19H17FN2O2 — CID 90680747

IUPAC8-fluoro-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCOc1ccc(-c2cc(F)cc3c(C)c4n(c23)CCNC4=O)cc1
InChIInChI=1S/C19H17FN2O2/c1-11-15-9-13(20)10-16(12-3-5-14(24-2)6-4-12)18(15)22-8-7-21-19(23)17(11)22/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)
InChIKeyCTWVBVPDRHCUSJ-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.51
Rot. Bonds2

About 8-fluoro-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

8-fluoro-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 90680747) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 8-fluoro-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name8-fluoro-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID90680747
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name8-fluoro-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCOc1ccc(-c2cc(F)cc3c(C)c4n(c23)CCNC4=O)cc1
InChIInChI=1S/C19H17FN2O2/c1-11-15-9-13(20)10-16(12-3-5-14(24-2)6-4-12)18(15)22-8-7-21-19(23)17(11)22/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)
InChIKeyCTWVBVPDRHCUSJ-UHFFFAOYSA-N
XLogP3.51
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 8-fluoro-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 90680747) is 8-fluoro-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 8-fluoro-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 8-fluoro-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is COc1ccc(-c2cc(F)cc3c(C)c4n(c23)CCNC4=O)cc1.
What is the InChIKey of 8-fluoro-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is CTWVBVPDRHCUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-11-15-9-13(20)10-16(12-3-5-14(24-2)6-4-12)18(15)22-8-7-21-19(23)17(11)22/h3-6,9-10H,7-8H2,1-2H3,(H,21,23).
What are the key properties of 8-fluoro-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
8-fluoro-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 324.36 g/mol, XLogP of 3.51, 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)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 90680747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).