2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one

C17H12FNO — CID 11207811

IUPAC2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(C#Cc3cccc(F)c3)ccc21
InChIInChI=1S/C17H12FNO/c18-13-4-1-3-12(11-13)7-8-14-9-10-15-16(19-14)5-2-6-17(15)20/h1,3-4,9-11H,2,5-6H2
InChIKeyXNJXPAACRCLMOS-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.14
Rot. Bonds

About 2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one

2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one (PubChem CID 11207811) has the molecular formula C17H12FNO and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one
PubChem CID11207811
Molecular FormulaC17H12FNO
Molecular Weight265.29 g/mol
Exact Mass265.09
IUPAC Name2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(C#Cc3cccc(F)c3)ccc21
InChIInChI=1S/C17H12FNO/c18-13-4-1-3-12(11-13)7-8-14-9-10-15-16(19-14)5-2-6-17(15)20/h1,3-4,9-11H,2,5-6H2
InChIKeyXNJXPAACRCLMOS-UHFFFAOYSA-N
XLogP3.14
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-chlorophenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one;2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one;2-[2-(3-methoxyphenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one
CID 69122333
6-butyl-2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one
CID 53319878
2-[2-(3-hydroxyphenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one;2-[2-(3-methoxyphenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one;2-[2-(3-methylphenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one
CID 158530278
3-[2-(7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)ethynyl]benzonitrile
CID 11381051
2-[2-(3-chlorophenyl)ethynyl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 11347416
2-[2-(3-hydroxyphenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one;2-[2-(3-methylphenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one;2-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one;2-(2-pyridin-3-ylethynyl)-7,8-dihydro-6H-quinolin-5-one
CID 173140838
2-[2-(3-methylphenyl)ethynyl]-6,7,8,9-tetrahydropyrido[3,2-c]azepin-5-one
CID 177305743
6,6-dimethyl-2-(2-phenylethynyl)-7,8-dihydroquinolin-5-one;2-[2-(4-methyl-1,3-thiazol-2-yl)ethynyl]-7,8-dihydro-6H-quinolin-5-one
CID 69121744
2-[2-(3-chlorophenyl)ethynyl]-6-methyl-7,8-dihydro-1,6-naphthyridin-5-one
CID 54580598
6-[2-(3,5-difluorophenyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-one;methane;6-[2-(3-methylphenyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-one;6-[2-(4-methylphenyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-one
CID 158647887
3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one
CID 67510438
2-[(3-fluorophenyl)sulfanylmethyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384747

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one (CID 11207811) is 2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one is O=C1CCCc2nc(C#Cc3cccc(F)c3)ccc21.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is XNJXPAACRCLMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO/c18-13-4-1-3-12(11-13)7-8-14-9-10-15-16(19-14)5-2-6-17(15)20/h1,3-4,9-11H,2,5-6H2.
What are the key properties of 2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one?
2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 265.29 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 11207811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).