6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile

C20H17N3O2 — CID 90036215

IUPAC6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)cc3c(C)c4n(c23)CCNC4=O)cc1
InChIInChI=1S/C20H17N3O2/c1-12-16-9-13(11-21)10-17(14-3-5-15(25-2)6-4-14)19(16)23-8-7-22-20(24)18(12)23/h3-6,9-10H,7-8H2,1-2H3,(H,22,24)
InChIKeyDRICTVIAMIAFFG-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.24
Rot. Bonds2

About 6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile

6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile (PubChem CID 90036215) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile
PubChem CID90036215
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)cc3c(C)c4n(c23)CCNC4=O)cc1
InChIInChI=1S/C20H17N3O2/c1-12-16-9-13(11-21)10-17(14-3-5-15(25-2)6-4-14)19(16)23-8-7-22-20(24)18(12)23/h3-6,9-10H,7-8H2,1-2H3,(H,22,24)
InChIKeyDRICTVIAMIAFFG-UHFFFAOYSA-N
XLogP3.24
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile?
The IUPAC name of 6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile (CID 90036215) is 6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile.
What is the SMILES notation for 6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile?
The canonical SMILES for 6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile is COc1ccc(-c2cc(C#N)cc3c(C)c4n(c23)CCNC4=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile?
The InChIKey is DRICTVIAMIAFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-12-16-9-13(11-21)10-17(14-3-5-15(25-2)6-4-14)19(16)23-8-7-22-20(24)18(12)23/h3-6,9-10H,7-8H2,1-2H3,(H,22,24).
What are the key properties of 6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile?
6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile has a molecular weight of 331.38 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-10-methyl-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile is sourced from PubChem (CID 90036215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).