ethane;8-fluoro-2-(3-fluorophenyl)-3-methylisoquinolin-1-one

C18H17F2NO — CID 144810862

IUPACethane;8-fluoro-2-(3-fluorophenyl)-3-methylisoquinolin-1-one
SMILESCC.Cc1cc2cccc(F)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C16H11F2NO.C2H6/c1-10-8-11-4-2-7-14(18)15(11)16(20)19(10)13-6-3-5-12(17)9-13;1-2/h2-9H,1H3;1-2H3
InChIKeyWTEBMQLBQGGHNL-UHFFFAOYSA-N
MW301.34 g/mol
LogP4.60
Rot. Bonds1

About ethane;8-fluoro-2-(3-fluorophenyl)-3-methylisoquinolin-1-one

ethane;8-fluoro-2-(3-fluorophenyl)-3-methylisoquinolin-1-one (PubChem CID 144810862) has the molecular formula C18H17F2NO and a molecular weight of 301.34 g/mol. Its IUPAC name is ethane;8-fluoro-2-(3-fluorophenyl)-3-methylisoquinolin-1-one.

Molecular Properties

Compound Nameethane;8-fluoro-2-(3-fluorophenyl)-3-methylisoquinolin-1-one
PubChem CID144810862
Molecular FormulaC18H17F2NO
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Nameethane;8-fluoro-2-(3-fluorophenyl)-3-methylisoquinolin-1-one
SMILESCC.Cc1cc2cccc(F)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C16H11F2NO.C2H6/c1-10-8-11-4-2-7-14(18)15(11)16(20)19(10)13-6-3-5-12(17)9-13;1-2/h2-9H,1H3;1-2H3
InChIKeyWTEBMQLBQGGHNL-UHFFFAOYSA-N
XLogP4.60
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;8-fluoro-2-(3-fluorophenyl)-3-methylisoquinolin-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

2-(3,4-difluorophenyl)-3-ethyl-8-fluoroisoquinolin-1-one
CID 144835469
3-(cyclopropylmethyl)-8-fluoro-2-phenylisoquinolin-1-one
CID 142525296
2-(2,3-difluorophenyl)-8-fluoro-3-propylisoquinolin-1-one
CID 144835434
2-benzyl-8-fluoro-3-methylisoquinolin-1-one
CID 86080289
3-(3-fluorophenyl)-4-methyl-1H-imidazol-2-one
CID 81446269
[(1S)-1-[8-chloro-2-(3-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]carbamic acid
CID 137463939
8-fluoro-2-(6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)-3-methylisoquinolin-1-one
CID 144810855
2,4-diamino-6-[[(1S)-1-[8-fluoro-2-(3-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 146625888
3-[(1S)-1-aminoethyl]-2-(3-fluorophenyl)-8-(2-methylpyrimidin-5-yl)isoquinolin-1-one
CID 71232843
5-fluoro-3-(3-methylphenyl)-1,3-benzoxazine-2,4-dione
CID 2725986
4-(3-fluoroanilino)-1-(3-fluorophenyl)-6-methylpyridin-2-one
CID 53385048
5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione
CID 4093447

Frequently Asked Questions

What is the IUPAC name of ethane;8-fluoro-2-(3-fluorophenyl)-3-methylisoquinolin-1-one?
The IUPAC name of ethane;8-fluoro-2-(3-fluorophenyl)-3-methylisoquinolin-1-one (CID 144810862) is ethane;8-fluoro-2-(3-fluorophenyl)-3-methylisoquinolin-1-one.
What is the SMILES notation for ethane;8-fluoro-2-(3-fluorophenyl)-3-methylisoquinolin-1-one?
The canonical SMILES for ethane;8-fluoro-2-(3-fluorophenyl)-3-methylisoquinolin-1-one is CC.Cc1cc2cccc(F)c2c(=O)n1-c1cccc(F)c1.
What is the InChIKey of ethane;8-fluoro-2-(3-fluorophenyl)-3-methylisoquinolin-1-one?
The InChIKey is WTEBMQLBQGGHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO.C2H6/c1-10-8-11-4-2-7-14(18)15(11)16(20)19(10)13-6-3-5-12(17)9-13;1-2/h2-9H,1H3;1-2H3.
What are the key properties of ethane;8-fluoro-2-(3-fluorophenyl)-3-methylisoquinolin-1-one?
ethane;8-fluoro-2-(3-fluorophenyl)-3-methylisoquinolin-1-one has a molecular weight of 301.34 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-fluoro-2-(3-fluorophenyl)-3-methylisoquinolin-1-one is sourced from PubChem (CID 144810862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).