cyclopropyl-(8-fluoro-9-methoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone

C19H20FNO2 — CID 11695326

IUPACcyclopropyl-(8-fluoro-9-methoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone
SMILESCOc1cc2c(cc1F)C(C)C(C)n1ccc(C(=O)C3CC3)c1-2
InChIInChI=1S/C19H20FNO2/c1-10-11(2)21-7-6-13(19(22)12-4-5-12)18(21)15-9-17(23-3)16(20)8-14(10)15/h6-12H,4-5H2,1-3H3
InChIKeyIJZLZQPLEAUSHN-UHFFFAOYSA-N
MW313.37 g/mol
LogP4.57
Rot. Bonds3

About cyclopropyl-(8-fluoro-9-methoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone

cyclopropyl-(8-fluoro-9-methoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone (PubChem CID 11695326) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is cyclopropyl-(8-fluoro-9-methoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(8-fluoro-9-methoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone
PubChem CID11695326
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Namecyclopropyl-(8-fluoro-9-methoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone
SMILESCOc1cc2c(cc1F)C(C)C(C)n1ccc(C(=O)C3CC3)c1-2
InChIInChI=1S/C19H20FNO2/c1-10-11(2)21-7-6-13(19(22)12-4-5-12)18(21)15-9-17(23-3)16(20)8-14(10)15/h6-12H,4-5H2,1-3H3
InChIKeyIJZLZQPLEAUSHN-UHFFFAOYSA-N
XLogP4.57
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-(8-fluoro-9-methoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(8-fluoro-9-methoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone?
The IUPAC name of cyclopropyl-(8-fluoro-9-methoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone (CID 11695326) is cyclopropyl-(8-fluoro-9-methoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone.
What is the SMILES notation for cyclopropyl-(8-fluoro-9-methoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone?
The canonical SMILES for cyclopropyl-(8-fluoro-9-methoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone is COc1cc2c(cc1F)C(C)C(C)n1ccc(C(=O)C3CC3)c1-2.
What is the InChIKey of cyclopropyl-(8-fluoro-9-methoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone?
The InChIKey is IJZLZQPLEAUSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-10-11(2)21-7-6-13(19(22)12-4-5-12)18(21)15-9-17(23-3)16(20)8-14(10)15/h6-12H,4-5H2,1-3H3.
What are the key properties of cyclopropyl-(8-fluoro-9-methoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone?
cyclopropyl-(8-fluoro-9-methoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone has a molecular weight of 313.37 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(8-fluoro-9-methoxy-5,6-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl)methanone is sourced from PubChem (CID 11695326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).