2-(2-chlorophenyl)-7-fluoro-4-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one

C18H15ClFNO — CID 162350115

IUPAC2-(2-chlorophenyl)-7-fluoro-4-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one
SMILESC=C(C)C1CN(c2ccccc2Cl)C(=O)c2cc(F)ccc21
InChIInChI=1S/C18H15ClFNO/c1-11(2)15-10-21(17-6-4-3-5-16(17)19)18(22)14-9-12(20)7-8-13(14)15/h3-9,15H,1,10H2,2H3
InChIKeyFOZBVBSFKJMPOS-UHFFFAOYSA-N
MW315.78 g/mol
LogP4.80
Rot. Bonds2

About 2-(2-chlorophenyl)-7-fluoro-4-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one

2-(2-chlorophenyl)-7-fluoro-4-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one (PubChem CID 162350115) has the molecular formula C18H15ClFNO and a molecular weight of 315.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-7-fluoro-4-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-7-fluoro-4-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one
PubChem CID162350115
Molecular FormulaC18H15ClFNO
Molecular Weight315.78 g/mol
Exact Mass315.08
IUPAC Name2-(2-chlorophenyl)-7-fluoro-4-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one
SMILESC=C(C)C1CN(c2ccccc2Cl)C(=O)c2cc(F)ccc21
InChIInChI=1S/C18H15ClFNO/c1-11(2)15-10-21(17-6-4-3-5-16(17)19)18(22)14-9-12(20)7-8-13(14)15/h3-9,15H,1,10H2,2H3
InChIKeyFOZBVBSFKJMPOS-UHFFFAOYSA-N
XLogP4.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-7-fluoro-4-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-(2-chlorophenyl)-7-fluoro-4-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one (CID 162350115) is 2-(2-chlorophenyl)-7-fluoro-4-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-(2-chlorophenyl)-7-fluoro-4-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-(2-chlorophenyl)-7-fluoro-4-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one is C=C(C)C1CN(c2ccccc2Cl)C(=O)c2cc(F)ccc21.
What is the InChIKey of 2-(2-chlorophenyl)-7-fluoro-4-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one?
The InChIKey is FOZBVBSFKJMPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO/c1-11(2)15-10-21(17-6-4-3-5-16(17)19)18(22)14-9-12(20)7-8-13(14)15/h3-9,15H,1,10H2,2H3.
What are the key properties of 2-(2-chlorophenyl)-7-fluoro-4-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one?
2-(2-chlorophenyl)-7-fluoro-4-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one has a molecular weight of 315.78 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-7-fluoro-4-prop-1-en-2-yl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 162350115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).