6-(4-methoxyphenyl)-3-methylpyrrolo[2,1-a]isoquinoline-1-carbonitrile

C21H16N2O — CID 178031478

IUPAC6-(4-methoxyphenyl)-3-methylpyrrolo[2,1-a]isoquinoline-1-carbonitrile
SMILESCOc1ccc(-c2cn3c(C)cc(C#N)c3c3ccccc23)cc1
InChIInChI=1S/C21H16N2O/c1-14-11-16(12-22)21-19-6-4-3-5-18(19)20(13-23(14)21)15-7-9-17(24-2)10-8-15/h3-11,13H,1-2H3
InChIKeyIBNOLYHTFXYHNX-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.95
Rot. Bonds2

About 6-(4-methoxyphenyl)-3-methylpyrrolo[2,1-a]isoquinoline-1-carbonitrile

6-(4-methoxyphenyl)-3-methylpyrrolo[2,1-a]isoquinoline-1-carbonitrile (PubChem CID 178031478) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-methylpyrrolo[2,1-a]isoquinoline-1-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-methylpyrrolo[2,1-a]isoquinoline-1-carbonitrile
PubChem CID178031478
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name6-(4-methoxyphenyl)-3-methylpyrrolo[2,1-a]isoquinoline-1-carbonitrile
SMILESCOc1ccc(-c2cn3c(C)cc(C#N)c3c3ccccc23)cc1
InChIInChI=1S/C21H16N2O/c1-14-11-16(12-22)21-19-6-4-3-5-18(19)20(13-23(14)21)15-7-9-17(24-2)10-8-15/h3-11,13H,1-2H3
InChIKeyIBNOLYHTFXYHNX-UHFFFAOYSA-N
XLogP4.95
TPSA37.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-6-(4-methoxyphenyl)-3-methylpyrrolo[2,1-a]isoquinoline-1-carbonitrile
CID 178031451
9-fluoro-3-methyl-6-phenylpyrrolo[2,1-a]isoquinoline-1-carbonitrile
CID 178031446
4-fluoro-2-(4-methoxyphenyl)benzonitrile
CID 67042916
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
1-methoxy-2,3-bis(4-methoxyphenyl)indolizine-8-carbonitrile
CID 134976633
3-tert-butyl-5-(4-methoxyphenyl)pyrrolo[2,3-c]isoquinoline-1-carbonitrile
CID 122380227
2-(ethylamino)-5-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 63271011
3-(4-methoxyphenyl)-1,4-diphenylpyrrole
CID 102125603
2-methoxy-5-(4-methoxyphenyl)benzonitrile
CID 59113876
4-(2-fluoro-4-methoxyphenyl)-2-methylbenzonitrile
CID 172648631
2-(4-methoxyphenyl)-1-oxidoindole-5,6-dicarbonitrile
CID 51802202
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-methylpyrrolo[2,1-a]isoquinoline-1-carbonitrile?
The IUPAC name of 6-(4-methoxyphenyl)-3-methylpyrrolo[2,1-a]isoquinoline-1-carbonitrile (CID 178031478) is 6-(4-methoxyphenyl)-3-methylpyrrolo[2,1-a]isoquinoline-1-carbonitrile.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-methylpyrrolo[2,1-a]isoquinoline-1-carbonitrile?
The canonical SMILES for 6-(4-methoxyphenyl)-3-methylpyrrolo[2,1-a]isoquinoline-1-carbonitrile is COc1ccc(-c2cn3c(C)cc(C#N)c3c3ccccc23)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-methylpyrrolo[2,1-a]isoquinoline-1-carbonitrile?
The InChIKey is IBNOLYHTFXYHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-14-11-16(12-22)21-19-6-4-3-5-18(19)20(13-23(14)21)15-7-9-17(24-2)10-8-15/h3-11,13H,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-3-methylpyrrolo[2,1-a]isoquinoline-1-carbonitrile?
6-(4-methoxyphenyl)-3-methylpyrrolo[2,1-a]isoquinoline-1-carbonitrile has a molecular weight of 312.37 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-methylpyrrolo[2,1-a]isoquinoline-1-carbonitrile is sourced from PubChem (CID 178031478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).