(5-methyl-6-oxoindolo[2,1-a]isoquinolin-5-yl)methyl selenocyanate

C19H14N2OSe — CID 172557886

IUPAC(5-methyl-6-oxoindolo[2,1-a]isoquinolin-5-yl)methyl selenocyanate
SMILESCC1(C[Se]C#N)C(=O)n2c(cc3ccccc32)-c2ccccc21
InChIInChI=1S/C19H14N2OSe/c1-19(11-23-12-20)15-8-4-3-7-14(15)17-10-13-6-2-5-9-16(13)21(17)18(19)22/h2-10H,11H2,1H3
InChIKeyDAYQWYYCSDZWOD-UHFFFAOYSA-N
MW365.29 g/mol
LogP3.82
Rot. Bonds2

About (5-methyl-6-oxoindolo[2,1-a]isoquinolin-5-yl)methyl selenocyanate

(5-methyl-6-oxoindolo[2,1-a]isoquinolin-5-yl)methyl selenocyanate (PubChem CID 172557886) has the molecular formula C19H14N2OSe and a molecular weight of 365.29 g/mol. Its IUPAC name is (5-methyl-6-oxoindolo[2,1-a]isoquinolin-5-yl)methyl selenocyanate.

Molecular Properties

Compound Name(5-methyl-6-oxoindolo[2,1-a]isoquinolin-5-yl)methyl selenocyanate
PubChem CID172557886
Molecular FormulaC19H14N2OSe
Molecular Weight365.29 g/mol
Exact Mass366.03
IUPAC Name(5-methyl-6-oxoindolo[2,1-a]isoquinolin-5-yl)methyl selenocyanate
SMILESCC1(C[Se]C#N)C(=O)n2c(cc3ccccc32)-c2ccccc21
InChIInChI=1S/C19H14N2OSe/c1-19(11-23-12-20)15-8-4-3-7-14(15)17-10-13-6-2-5-9-16(13)21(17)18(19)22/h2-10H,11H2,1H3
InChIKeyDAYQWYYCSDZWOD-UHFFFAOYSA-N
XLogP3.82
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(5-methyl-6-oxo-12-phenylindolo[2,1-a]isoquinolin-5-yl)methyl selenocyanate
CID 172557894
[(5R)-5-methyl-6-oxobenzimidazolo[2,1-a]isoquinolin-5-yl]methyl thiocyanate
CID 164675633
(5S)-12-ethyl-5-methyl-5-(trifluoromethylsulfanylmethyl)indolo[2,1-a]isoquinolin-6-one
CID 166447926
3-[2-(2-bromophenyl)indol-1-yl]-5-methylcyclohex-2-en-1-one
CID 164671340
5-[[dimethyl(phenyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one
CID 156788934
5-[[tert-butyl(dimethyl)silyl]methyl]-5-methylbenzimidazolo[2,1-a]isoquinolin-6-one
CID 156788914
1-(4-methylphenyl)-2-naphthalen-1-ylindole
CID 177416658
N-methylindolo[1,2-a]indol-11-imine
CID 155670179
6-methylidene-5H-indolo[1,2-c]quinazoline
CID 15966005
2-(2-bromophenyl)-1-ethylindole
CID 141407041
2-(2-bromophenyl)-1-methylindole
CID 127263547
9,10-difluoro-5-methyl-5-(triethylsilylmethyl)benzimidazolo[2,1-a]isoquinolin-6-one
CID 156788928

Frequently Asked Questions

What is the IUPAC name of (5-methyl-6-oxoindolo[2,1-a]isoquinolin-5-yl)methyl selenocyanate?
The IUPAC name of (5-methyl-6-oxoindolo[2,1-a]isoquinolin-5-yl)methyl selenocyanate (CID 172557886) is (5-methyl-6-oxoindolo[2,1-a]isoquinolin-5-yl)methyl selenocyanate.
What is the SMILES notation for (5-methyl-6-oxoindolo[2,1-a]isoquinolin-5-yl)methyl selenocyanate?
The canonical SMILES for (5-methyl-6-oxoindolo[2,1-a]isoquinolin-5-yl)methyl selenocyanate is CC1(C[Se]C#N)C(=O)n2c(cc3ccccc32)-c2ccccc21.
What is the InChIKey of (5-methyl-6-oxoindolo[2,1-a]isoquinolin-5-yl)methyl selenocyanate?
The InChIKey is DAYQWYYCSDZWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OSe/c1-19(11-23-12-20)15-8-4-3-7-14(15)17-10-13-6-2-5-9-16(13)21(17)18(19)22/h2-10H,11H2,1H3.
What are the key properties of (5-methyl-6-oxoindolo[2,1-a]isoquinolin-5-yl)methyl selenocyanate?
(5-methyl-6-oxoindolo[2,1-a]isoquinolin-5-yl)methyl selenocyanate has a molecular weight of 365.29 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-6-oxoindolo[2,1-a]isoquinolin-5-yl)methyl selenocyanate is sourced from PubChem (CID 172557886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).