2-(4-fluorophenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one

C16H14FNO2 — CID 10869393

IUPAC2-(4-fluorophenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccc2c(c1)CCN(c1ccc(F)cc1)C2=O
InChIInChI=1S/C16H14FNO2/c1-20-14-6-7-15-11(10-14)8-9-18(16(15)19)13-4-2-12(17)3-5-13/h2-7,10H,8-9H2,1H3
InChIKeyYPAQRHKRGRZIDX-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.04
Rot. Bonds2

About 2-(4-fluorophenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one

2-(4-fluorophenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one (PubChem CID 10869393) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one
PubChem CID10869393
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name2-(4-fluorophenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccc2c(c1)CCN(c1ccc(F)cc1)C2=O
InChIInChI=1S/C16H14FNO2/c1-20-14-6-7-15-11(10-14)8-9-18(16(15)19)13-4-2-12(17)3-5-13/h2-7,10H,8-9H2,1H3
InChIKeyYPAQRHKRGRZIDX-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-(4-fluorophenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one (CID 10869393) is 2-(4-fluorophenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one is COc1ccc2c(c1)CCN(c1ccc(F)cc1)C2=O.
What is the InChIKey of 2-(4-fluorophenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one?
The InChIKey is YPAQRHKRGRZIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-20-14-6-7-15-11(10-14)8-9-18(16(15)19)13-4-2-12(17)3-5-13/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one?
2-(4-fluorophenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one has a molecular weight of 271.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 10869393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).