4-fluoro-3-methoxy-3,4-dihydro-2H-isoquinolin-1-one

C10H10FNO2 — CID 146987078

IUPAC4-fluoro-3-methoxy-3,4-dihydro-2H-isoquinolin-1-one
SMILESCOC1NC(=O)c2ccccc2C1F
InChIInChI=1S/C10H10FNO2/c1-14-10-8(11)6-4-2-3-5-7(6)9(13)12-10/h2-5,8,10H,1H3,(H,12,13)
InChIKeyAPLTZFCHBRQPID-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.41
Rot. Bonds1

About 4-fluoro-3-methoxy-3,4-dihydro-2H-isoquinolin-1-one

4-fluoro-3-methoxy-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 146987078) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name4-fluoro-3-methoxy-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID146987078
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name4-fluoro-3-methoxy-3,4-dihydro-2H-isoquinolin-1-one
SMILESCOC1NC(=O)c2ccccc2C1F
InChIInChI=1S/C10H10FNO2/c1-14-10-8(11)6-4-2-3-5-7(6)9(13)12-10/h2-5,8,10H,1H3,(H,12,13)
InChIKeyAPLTZFCHBRQPID-UHFFFAOYSA-N
XLogP1.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-3-methoxy-3,4-dihydro-2H-isoquinolin-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

3,4-dihydroisoquinolin-1(2H)-one
CID 150896
3,4-dihydro-5-methyl-1(2H)-isoquinolinone
CID 148140
3-Methyl-3,4-dihydroisoquinolin-1(2H)-one
CID 2826771
7-Fluoro-1,2,3,4-tetrahydroisoquinolin-1-one
CID 17792611
6-Fluoro-1,2,3,4-tetrahydroisoquinolin-1-one
CID 10725709
1-Oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
CID 53399149
Isoquinolin-1(2H)-ones, 1f
CID 134611914
8-Fluoro-3,4-dihydroisoquinolin-1(2H)-one
CID 71619510
5,7-Difluoro-1,2,3,4-tetrahydroisoquinolin-1-one
CID 64281662
4-(Hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-1-one
CID 130015714
7-fluoro-8-methyl-3,4-dihydro-2H-isoquinolin-1-one
CID 138976710
(3R)-4,4-difluoro-3-methoxy-2,3-dihydroisoquinolin-1-one
CID 139124988

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 4-fluoro-3-methoxy-3,4-dihydro-2H-isoquinolin-1-one (CID 146987078) is 4-fluoro-3-methoxy-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 4-fluoro-3-methoxy-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 4-fluoro-3-methoxy-3,4-dihydro-2H-isoquinolin-1-one is COC1NC(=O)c2ccccc2C1F.
What is the InChIKey of 4-fluoro-3-methoxy-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is APLTZFCHBRQPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-14-10-8(11)6-4-2-3-5-7(6)9(13)12-10/h2-5,8,10H,1H3,(H,12,13).
What are the key properties of 4-fluoro-3-methoxy-3,4-dihydro-2H-isoquinolin-1-one?
4-fluoro-3-methoxy-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 195.19 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 146987078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).