4-cyclopropyl-6-fluoro-2-methyl-3-phenylisoquinolin-1-one

C19H16FNO — CID 71531530

IUPAC4-cyclopropyl-6-fluoro-2-methyl-3-phenylisoquinolin-1-one
SMILESCn1c(-c2ccccc2)c(C2CC2)c2cc(F)ccc2c1=O
InChIInChI=1S/C19H16FNO/c1-21-18(13-5-3-2-4-6-13)17(12-7-8-12)16-11-14(20)9-10-15(16)19(21)22/h2-6,9-12H,7-8H2,1H3
InChIKeyBUONWGMNPLECJE-UHFFFAOYSA-N
MW293.34 g/mol
LogP4.22
Rot. Bonds2

About 4-cyclopropyl-6-fluoro-2-methyl-3-phenylisoquinolin-1-one

4-cyclopropyl-6-fluoro-2-methyl-3-phenylisoquinolin-1-one (PubChem CID 71531530) has the molecular formula C19H16FNO and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-cyclopropyl-6-fluoro-2-methyl-3-phenylisoquinolin-1-one.

Molecular Properties

Compound Name4-cyclopropyl-6-fluoro-2-methyl-3-phenylisoquinolin-1-one
PubChem CID71531530
Molecular FormulaC19H16FNO
Molecular Weight293.34 g/mol
Exact Mass293.12
IUPAC Name4-cyclopropyl-6-fluoro-2-methyl-3-phenylisoquinolin-1-one
SMILESCn1c(-c2ccccc2)c(C2CC2)c2cc(F)ccc2c1=O
InChIInChI=1S/C19H16FNO/c1-21-18(13-5-3-2-4-6-13)17(12-7-8-12)16-11-14(20)9-10-15(16)19(21)22/h2-6,9-12H,7-8H2,1H3
InChIKeyBUONWGMNPLECJE-UHFFFAOYSA-N
XLogP4.22
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-cyclopropyl-6-fluoro-2-methyl-3-phenylisoquinolin-1-one 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

4-cyclopropyl-3-phenyl-2-propan-2-ylisoquinolin-1-one
CID 71531403
2-fluoro-7-(2-oxopropyl)-12-phenyl-7H-isoindolo[2,1-b]isoquinolin-5-one
CID 162373806
1-(3-cycloheptyl-1-methyl-2-phenylindol-6-yl)ethenol
CID 142999777
6-fluoro-9-methyl-1-oxo-2,3-diphenylpyrido[3,4-b]indole-4-carboxylic acid
CID 177481591
3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole
CID 121447553
6-fluoro-1,3-diphenylcyclopenta[a]indene-2,4-dione
CID 163600910
4-cyclopropyl-2-methyl-3-propylisoquinolin-1-one
CID 71531401
2,6-dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5-dione
CID 139056191
2,3-dimethyl-4-phenylisoquinolin-1-one;ethane
CID 142130095
3-dicyclohexylphosphinothioyl-6-fluoro-4-phenyl-2H-isoquinolin-1-one
CID 132554027
3-(1-acetylpiperidin-4-yl)-6-methoxy-2-methyl-4-phenylisoquinolin-1-one
CID 11417906
4-(3-aminophenyl)-6-fluoro-2-methylisoquinolin-1-one
CID 134310818

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-fluoro-2-methyl-3-phenylisoquinolin-1-one?
The IUPAC name of 4-cyclopropyl-6-fluoro-2-methyl-3-phenylisoquinolin-1-one (CID 71531530) is 4-cyclopropyl-6-fluoro-2-methyl-3-phenylisoquinolin-1-one.
What is the SMILES notation for 4-cyclopropyl-6-fluoro-2-methyl-3-phenylisoquinolin-1-one?
The canonical SMILES for 4-cyclopropyl-6-fluoro-2-methyl-3-phenylisoquinolin-1-one is Cn1c(-c2ccccc2)c(C2CC2)c2cc(F)ccc2c1=O.
What is the InChIKey of 4-cyclopropyl-6-fluoro-2-methyl-3-phenylisoquinolin-1-one?
The InChIKey is BUONWGMNPLECJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO/c1-21-18(13-5-3-2-4-6-13)17(12-7-8-12)16-11-14(20)9-10-15(16)19(21)22/h2-6,9-12H,7-8H2,1H3.
What are the key properties of 4-cyclopropyl-6-fluoro-2-methyl-3-phenylisoquinolin-1-one?
4-cyclopropyl-6-fluoro-2-methyl-3-phenylisoquinolin-1-one has a molecular weight of 293.34 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-fluoro-2-methyl-3-phenylisoquinolin-1-one is sourced from PubChem (CID 71531530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).