2-(2-fluoro-4-propan-2-yloxyphenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one

C19H20FNO3 — CID 118184870

IUPAC2-(2-fluoro-4-propan-2-yloxyphenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccc2c(c1)CCN(c1ccc(OC(C)C)cc1F)C2=O
InChIInChI=1S/C19H20FNO3/c1-12(2)24-15-5-7-18(17(20)11-15)21-9-8-13-10-14(23-3)4-6-16(13)19(21)22/h4-7,10-12H,8-9H2,1-3H3
InChIKeyLHCPHUGVULFNPG-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.82
Rot. Bonds4

About 2-(2-fluoro-4-propan-2-yloxyphenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one

2-(2-fluoro-4-propan-2-yloxyphenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one (PubChem CID 118184870) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-(2-fluoro-4-propan-2-yloxyphenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-(2-fluoro-4-propan-2-yloxyphenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one
PubChem CID118184870
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name2-(2-fluoro-4-propan-2-yloxyphenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccc2c(c1)CCN(c1ccc(OC(C)C)cc1F)C2=O
InChIInChI=1S/C19H20FNO3/c1-12(2)24-15-5-7-18(17(20)11-15)21-9-8-13-10-14(23-3)4-6-16(13)19(21)22/h4-7,10-12H,8-9H2,1-3H3
InChIKeyLHCPHUGVULFNPG-UHFFFAOYSA-N
XLogP3.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-fluoro-4-propan-2-yloxyphenyl)-6-methoxy-3,4-dihydroisoquinolin-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-propan-2-yloxyphenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-(2-fluoro-4-propan-2-yloxyphenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one (CID 118184870) is 2-(2-fluoro-4-propan-2-yloxyphenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-(2-fluoro-4-propan-2-yloxyphenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-(2-fluoro-4-propan-2-yloxyphenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one is COc1ccc2c(c1)CCN(c1ccc(OC(C)C)cc1F)C2=O.
What is the InChIKey of 2-(2-fluoro-4-propan-2-yloxyphenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one?
The InChIKey is LHCPHUGVULFNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-12(2)24-15-5-7-18(17(20)11-15)21-9-8-13-10-14(23-3)4-6-16(13)19(21)22/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 2-(2-fluoro-4-propan-2-yloxyphenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one?
2-(2-fluoro-4-propan-2-yloxyphenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one has a molecular weight of 329.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-propan-2-yloxyphenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 118184870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).