2-methyl-8-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]indole

C18H18N2 — CID 102297051

IUPAC2-methyl-8-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCN1CCn2c(cc3cc(-c4ccccc4)ccc32)C1
InChIInChI=1S/C18H18N2/c1-19-9-10-20-17(13-19)12-16-11-15(7-8-18(16)20)14-5-3-2-4-6-14/h2-8,11-12H,9-10,13H2,1H3
InChIKeyKSOVVICKBLNOAM-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.75
Rot. Bonds1

About 2-methyl-8-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]indole

2-methyl-8-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]indole (PubChem CID 102297051) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-methyl-8-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]indole.

Molecular Properties

Compound Name2-methyl-8-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
PubChem CID102297051
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-methyl-8-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCN1CCn2c(cc3cc(-c4ccccc4)ccc32)C1
InChIInChI=1S/C18H18N2/c1-19-9-10-20-17(13-19)12-16-11-15(7-8-18(16)20)14-5-3-2-4-6-14/h2-8,11-12H,9-10,13H2,1H3
InChIKeyKSOVVICKBLNOAM-UHFFFAOYSA-N
XLogP3.75
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The IUPAC name of 2-methyl-8-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]indole (CID 102297051) is 2-methyl-8-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]indole.
What is the SMILES notation for 2-methyl-8-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The canonical SMILES for 2-methyl-8-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]indole is CN1CCn2c(cc3cc(-c4ccccc4)ccc32)C1.
What is the InChIKey of 2-methyl-8-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The InChIKey is KSOVVICKBLNOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-19-9-10-20-17(13-19)12-16-11-15(7-8-18(16)20)14-5-3-2-4-6-14/h2-8,11-12H,9-10,13H2,1H3.
What are the key properties of 2-methyl-8-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
2-methyl-8-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]indole has a molecular weight of 262.36 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]indole is sourced from PubChem (CID 102297051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).