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

C17H13NO — CID 11379626

IUPAC2-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(C#Cc3ccccc3)ccc21
InChIInChI=1S/C17H13NO/c19-17-8-4-7-16-15(17)12-11-14(18-16)10-9-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-8H2
InChIKeyXOUDFZJCSDKXLG-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.00
Rot. Bonds

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

2-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one (PubChem CID 11379626) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name2-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one
PubChem CID11379626
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name2-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(C#Cc3ccccc3)ccc21
InChIInChI=1S/C17H13NO/c19-17-8-4-7-16-15(17)12-11-14(18-16)10-9-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-8H2
InChIKeyXOUDFZJCSDKXLG-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 2-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one (CID 11379626) is 2-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 2-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 2-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one is O=C1CCCc2nc(C#Cc3ccccc3)ccc21.
What is the InChIKey of 2-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is XOUDFZJCSDKXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c19-17-8-4-7-16-15(17)12-11-14(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 2-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one?
2-(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 2-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 11379626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).