3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one

C17H13NO — CID 67510438

IUPAC3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2ncc(C#Cc3ccccc3)cc21
InChIInChI=1S/C17H13NO/c19-17-8-4-7-16-15(17)11-14(12-18-16)10-9-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-8H2
InChIKeyFZANBVBQQNZHBU-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.00
Rot. Bonds

About 3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one

3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one (PubChem CID 67510438) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one
PubChem CID67510438
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2ncc(C#Cc3ccccc3)cc21
InChIInChI=1S/C17H13NO/c19-17-8-4-7-16-15(17)11-14(12-18-16)10-9-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-8H2
InChIKeyFZANBVBQQNZHBU-UHFFFAOYSA-N
XLogP3.00
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.00
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

Phenyl-3-pyridinylmethanone
CID 21540
2-Benzoylpyridine
CID 7038
1,10-Phenanthroline-5,6-dione
CID 72810
3-Acetyl-6-methylpyridine
CID 95292
6,6-dimethyl-2-phenylethynyl-7,8-dihydro-6H-quinolin-5-one
CID 16065021
Benzo(g)isoquinoline-5,10-dione
CID 100650
Benzo(h)quinoline-5,6-dione
CID 163098
2-(Phenylethynyl)-7,8-dihydroquinolin-5(6H)-one
CID 11379626
3-Quinolinecarboxamide
CID 15561101
Benzo(g)quinoline-5,10-dione
CID 323141
1-Isoquinolinyl phenyl ketone
CID 280081
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one (CID 67510438) is 3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one is O=C1CCCc2ncc(C#Cc3ccccc3)cc21.
What is the InChIKey of 3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is FZANBVBQQNZHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c19-17-8-4-7-16-15(17)11-14(12-18-16)10-9-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-8H2.
What are the key properties of 3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one?
3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 247.30 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 67510438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).