9-fluoro-3-methyl-6-phenylpyrrolo[2,1-a]isoquinoline-1-carbonitrile

C20H13FN2 — CID 178031446

IUPAC9-fluoro-3-methyl-6-phenylpyrrolo[2,1-a]isoquinoline-1-carbonitrile
SMILESCc1cc(C#N)c2c3cc(F)ccc3c(-c3ccccc3)cn12
InChIInChI=1S/C20H13FN2/c1-13-9-15(11-22)20-18-10-16(21)7-8-17(18)19(12-23(13)20)14-5-3-2-4-6-14/h2-10,12H,1H3
InChIKeyJKMNLKJVYOQBOM-UHFFFAOYSA-N
MW300.34 g/mol
LogP5.08
Rot. Bonds1

About 9-fluoro-3-methyl-6-phenylpyrrolo[2,1-a]isoquinoline-1-carbonitrile

9-fluoro-3-methyl-6-phenylpyrrolo[2,1-a]isoquinoline-1-carbonitrile (PubChem CID 178031446) has the molecular formula C20H13FN2 and a molecular weight of 300.34 g/mol. Its IUPAC name is 9-fluoro-3-methyl-6-phenylpyrrolo[2,1-a]isoquinoline-1-carbonitrile.

Molecular Properties

Compound Name9-fluoro-3-methyl-6-phenylpyrrolo[2,1-a]isoquinoline-1-carbonitrile
PubChem CID178031446
Molecular FormulaC20H13FN2
Molecular Weight300.34 g/mol
Exact Mass300.11
IUPAC Name9-fluoro-3-methyl-6-phenylpyrrolo[2,1-a]isoquinoline-1-carbonitrile
SMILESCc1cc(C#N)c2c3cc(F)ccc3c(-c3ccccc3)cn12
InChIInChI=1S/C20H13FN2/c1-13-9-15(11-22)20-18-10-16(21)7-8-17(18)19(12-23(13)20)14-5-3-2-4-6-14/h2-10,12H,1H3
InChIKeyJKMNLKJVYOQBOM-UHFFFAOYSA-N
XLogP5.08
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.34
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-fluoro-3-methyl-6-phenylpyrrolo[2,1-a]isoquinoline-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-fluoro-6-(4-methoxyphenyl)-3-methylpyrrolo[2,1-a]isoquinoline-1-carbonitrile
CID 178031451
6-(4-methoxyphenyl)-3-methylpyrrolo[2,1-a]isoquinoline-1-carbonitrile
CID 178031478
2-(4,6-diphenylpyrimidin-2-yl)-5-fluorobenzonitrile
CID 142753884
4-fluoro-1-methyl-2-phenylbenzene
CID 21350138
2-(5-fluoro-2-phenylphenyl)acetonitrile
CID 46314808
1-(4-fluorobenzoyl)-6-methyl-2-oxo-4-phenylpyridine-3-carbonitrile
CID 171984034
2-fluorotriphenylene
CID 23233895
ethane;4-fluoro-2-phenoxy-5-phenylbenzene-1,3-dicarbonitrile
CID 144713868
5-(2,6-diphenylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane
CID 144713854
2-[2-(N-(5,7-diphenylnaphthalen-1-yl)anilino)phenyl]-4-fluorobenzonitrile
CID 171749929
1-amino-5-fluoroindole-3-carbonitrile
CID 68558682
(4-fluoro-2-phenylphenyl)cyanamide
CID 19089223

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-3-methyl-6-phenylpyrrolo[2,1-a]isoquinoline-1-carbonitrile?
The IUPAC name of 9-fluoro-3-methyl-6-phenylpyrrolo[2,1-a]isoquinoline-1-carbonitrile (CID 178031446) is 9-fluoro-3-methyl-6-phenylpyrrolo[2,1-a]isoquinoline-1-carbonitrile.
What is the SMILES notation for 9-fluoro-3-methyl-6-phenylpyrrolo[2,1-a]isoquinoline-1-carbonitrile?
The canonical SMILES for 9-fluoro-3-methyl-6-phenylpyrrolo[2,1-a]isoquinoline-1-carbonitrile is Cc1cc(C#N)c2c3cc(F)ccc3c(-c3ccccc3)cn12.
What is the InChIKey of 9-fluoro-3-methyl-6-phenylpyrrolo[2,1-a]isoquinoline-1-carbonitrile?
The InChIKey is JKMNLKJVYOQBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2/c1-13-9-15(11-22)20-18-10-16(21)7-8-17(18)19(12-23(13)20)14-5-3-2-4-6-14/h2-10,12H,1H3.
What are the key properties of 9-fluoro-3-methyl-6-phenylpyrrolo[2,1-a]isoquinoline-1-carbonitrile?
9-fluoro-3-methyl-6-phenylpyrrolo[2,1-a]isoquinoline-1-carbonitrile has a molecular weight of 300.34 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-3-methyl-6-phenylpyrrolo[2,1-a]isoquinoline-1-carbonitrile is sourced from PubChem (CID 178031446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).