3-(cyclopropylmethyl)-8-fluoro-2-phenylisoquinolin-1-one

C19H16FNO — CID 142525296

IUPAC3-(cyclopropylmethyl)-8-fluoro-2-phenylisoquinolin-1-one
SMILESO=c1c2c(F)cccc2cc(CC2CC2)n1-c1ccccc1
InChIInChI=1S/C19H16FNO/c20-17-8-4-5-14-12-16(11-13-9-10-13)21(19(22)18(14)17)15-6-2-1-3-7-15/h1-8,12-13H,9-11H2
InChIKeyYAPLREFHRYTNIS-UHFFFAOYSA-N
MW293.34 g/mol
LogP4.08
Rot. Bonds3

About 3-(cyclopropylmethyl)-8-fluoro-2-phenylisoquinolin-1-one

3-(cyclopropylmethyl)-8-fluoro-2-phenylisoquinolin-1-one (PubChem CID 142525296) has the molecular formula C19H16FNO and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-8-fluoro-2-phenylisoquinolin-1-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-8-fluoro-2-phenylisoquinolin-1-one
PubChem CID142525296
Molecular FormulaC19H16FNO
Molecular Weight293.34 g/mol
Exact Mass293.12
IUPAC Name3-(cyclopropylmethyl)-8-fluoro-2-phenylisoquinolin-1-one
SMILESO=c1c2c(F)cccc2cc(CC2CC2)n1-c1ccccc1
InChIInChI=1S/C19H16FNO/c20-17-8-4-5-14-12-16(11-13-9-10-13)21(19(22)18(14)17)15-6-2-1-3-7-15/h1-8,12-13H,9-11H2
InChIKeyYAPLREFHRYTNIS-UHFFFAOYSA-N
XLogP4.08
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-3-ethyl-8-fluoroisoquinolin-1-one
CID 144835469
ethane;8-fluoro-2-(3-fluorophenyl)-3-methylisoquinolin-1-one
CID 144810862
2-(2,3-difluorophenyl)-8-fluoro-3-propylisoquinolin-1-one
CID 144835434
3-ethyl-8-fluoro-2-phenylisoquinolin-1-one;7H-purin-6-amine
CID 144835055
ethane;8-fluoro-2-phenyl-3-propylisoquinolin-1-one;7H-purin-6-amine
CID 144835192
8-but-1-ynyl-3-ethyl-2-phenylisoquinolin-1-one
CID 144824176
3-ethyl-N-methyl-1-oxo-2-phenylisoquinoline-8-carboxamide
CID 144514885
2-benzyl-8-fluoro-3-methylisoquinolin-1-one
CID 86080289
8-(3,3-dimethylbut-1-ynyl)-3-ethyl-2-phenylisoquinolin-1-one
CID 144824598
8-(3-chlorophenyl)-3-ethyl-2-phenylisoquinolin-1-one
CID 71291771
8-[2-(1-cyclopropylpyrazol-4-yl)ethynyl]-3-ethyl-2-phenylisoquinolin-1-one
CID 167067236
3-ethyl-8-[1-(oxan-4-yl)-6-oxo-3-pyridinyl]-2-phenylisoquinolin-1-one
CID 144543781

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-8-fluoro-2-phenylisoquinolin-1-one?
The IUPAC name of 3-(cyclopropylmethyl)-8-fluoro-2-phenylisoquinolin-1-one (CID 142525296) is 3-(cyclopropylmethyl)-8-fluoro-2-phenylisoquinolin-1-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-8-fluoro-2-phenylisoquinolin-1-one?
The canonical SMILES for 3-(cyclopropylmethyl)-8-fluoro-2-phenylisoquinolin-1-one is O=c1c2c(F)cccc2cc(CC2CC2)n1-c1ccccc1.
What is the InChIKey of 3-(cyclopropylmethyl)-8-fluoro-2-phenylisoquinolin-1-one?
The InChIKey is YAPLREFHRYTNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO/c20-17-8-4-5-14-12-16(11-13-9-10-13)21(19(22)18(14)17)15-6-2-1-3-7-15/h1-8,12-13H,9-11H2.
What are the key properties of 3-(cyclopropylmethyl)-8-fluoro-2-phenylisoquinolin-1-one?
3-(cyclopropylmethyl)-8-fluoro-2-phenylisoquinolin-1-one has a molecular weight of 293.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-8-fluoro-2-phenylisoquinolin-1-one is sourced from PubChem (CID 142525296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).