2-[(4-fluorophenyl)methyl]-5-propan-2-yloxy-3,4-dihydroisoquinolin-1-one

C19H20FNO2 — CID 2152023

IUPAC2-[(4-fluorophenyl)methyl]-5-propan-2-yloxy-3,4-dihydroisoquinolin-1-one
SMILESCC(C)Oc1cccc2c1CCN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C19H20FNO2/c1-13(2)23-18-5-3-4-17-16(18)10-11-21(19(17)22)12-14-6-8-15(20)9-7-14/h3-9,13H,10-12H2,1-2H3
InChIKeyKZDNPLBLWOEVSU-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.81
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-5-propan-2-yloxy-3,4-dihydroisoquinolin-1-one

2-[(4-fluorophenyl)methyl]-5-propan-2-yloxy-3,4-dihydroisoquinolin-1-one (PubChem CID 2152023) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-propan-2-yloxy-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-propan-2-yloxy-3,4-dihydroisoquinolin-1-one
PubChem CID2152023
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name2-[(4-fluorophenyl)methyl]-5-propan-2-yloxy-3,4-dihydroisoquinolin-1-one
SMILESCC(C)Oc1cccc2c1CCN(Cc1ccc(F)cc1)C2=O
InChIInChI=1S/C19H20FNO2/c1-13(2)23-18-5-3-4-17-16(18)10-11-21(19(17)22)12-14-6-8-15(20)9-7-14/h3-9,13H,10-12H2,1-2H3
InChIKeyKZDNPLBLWOEVSU-UHFFFAOYSA-N
XLogP3.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-propan-2-yloxy-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-propan-2-yloxy-3,4-dihydroisoquinolin-1-one (CID 2152023) is 2-[(4-fluorophenyl)methyl]-5-propan-2-yloxy-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-propan-2-yloxy-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-propan-2-yloxy-3,4-dihydroisoquinolin-1-one is CC(C)Oc1cccc2c1CCN(Cc1ccc(F)cc1)C2=O.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-propan-2-yloxy-3,4-dihydroisoquinolin-1-one?
The InChIKey is KZDNPLBLWOEVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-13(2)23-18-5-3-4-17-16(18)10-11-21(19(17)22)12-14-6-8-15(20)9-7-14/h3-9,13H,10-12H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-propan-2-yloxy-3,4-dihydroisoquinolin-1-one?
2-[(4-fluorophenyl)methyl]-5-propan-2-yloxy-3,4-dihydroisoquinolin-1-one has a molecular weight of 313.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-propan-2-yloxy-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 2152023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).