2-[1-(4-fluorophenyl)prop-2-enyl]isoquinolin-6-one

C18H14FNO — CID 146026874

IUPAC2-[1-(4-fluorophenyl)prop-2-enyl]isoquinolin-6-one
SMILESC=CC(c1ccc(F)cc1)n1ccc2cc(=O)ccc-2c1
InChIInChI=1S/C18H14FNO/c1-2-18(13-3-6-16(19)7-4-13)20-10-9-14-11-17(21)8-5-15(14)12-20/h2-12,18H,1H2
InChIKeyJGJVDXXLEHXUDZ-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.87
Rot. Bonds3

About 2-[1-(4-fluorophenyl)prop-2-enyl]isoquinolin-6-one

2-[1-(4-fluorophenyl)prop-2-enyl]isoquinolin-6-one (PubChem CID 146026874) has the molecular formula C18H14FNO and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)prop-2-enyl]isoquinolin-6-one.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)prop-2-enyl]isoquinolin-6-one
PubChem CID146026874
Molecular FormulaC18H14FNO
Molecular Weight279.31 g/mol
Exact Mass279.11
IUPAC Name2-[1-(4-fluorophenyl)prop-2-enyl]isoquinolin-6-one
SMILESC=CC(c1ccc(F)cc1)n1ccc2cc(=O)ccc-2c1
InChIInChI=1S/C18H14FNO/c1-2-18(13-3-6-16(19)7-4-13)20-10-9-14-11-17(21)8-5-15(14)12-20/h2-12,18H,1H2
InChIKeyJGJVDXXLEHXUDZ-UHFFFAOYSA-N
XLogP3.87
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-2H-quinolizin-2-one
CID 16064456
1-benzyl-2,3-dihydropyridin-4(1H)-one
CID 13275577
1-(1-benzyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl)ethanone
CID 53384232
(E)-4-[benzyl(methyl)amino]-1,1,1-trifluoro-3-buten-2-one
CID 5898736
1-Benzyl-3-[(2,6-difluorophenyl)methyl]-2-methylpyridin-4-one
CID 44422625
1-benzylpyridin-4(1H)-one
CID 12237889
1-(2-fluorobenzyl)pyridin-2(1H)-one
CID 664770
1-Benzyl-3-ethenyl-2-methylpyridin-4(1H)-one
CID 44422634
1-[(4-Phenylphenyl)methyl]pyridin-4-one
CID 44568486
1-[(2,4-Difluorophenyl)methyl]-5-(4-fluorophenyl)pyridin-2-one
CID 4060443
1-Benzyl-5-(4-fluorophenyl)pyridin-2-one
CID 4108650
1-[(3-Fluorophenyl)methyl]pyridin-2-one
CID 25644268

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)prop-2-enyl]isoquinolin-6-one?
The IUPAC name of 2-[1-(4-fluorophenyl)prop-2-enyl]isoquinolin-6-one (CID 146026874) is 2-[1-(4-fluorophenyl)prop-2-enyl]isoquinolin-6-one.
What is the SMILES notation for 2-[1-(4-fluorophenyl)prop-2-enyl]isoquinolin-6-one?
The canonical SMILES for 2-[1-(4-fluorophenyl)prop-2-enyl]isoquinolin-6-one is C=CC(c1ccc(F)cc1)n1ccc2cc(=O)ccc-2c1.
What is the InChIKey of 2-[1-(4-fluorophenyl)prop-2-enyl]isoquinolin-6-one?
The InChIKey is JGJVDXXLEHXUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO/c1-2-18(13-3-6-16(19)7-4-13)20-10-9-14-11-17(21)8-5-15(14)12-20/h2-12,18H,1H2.
What are the key properties of 2-[1-(4-fluorophenyl)prop-2-enyl]isoquinolin-6-one?
2-[1-(4-fluorophenyl)prop-2-enyl]isoquinolin-6-one has a molecular weight of 279.31 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)prop-2-enyl]isoquinolin-6-one is sourced from PubChem (CID 146026874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).