2-phenyl-1-quinolin-8-ylethanone

C17H13NO — CID 10999362

IUPAC2-phenyl-1-quinolin-8-ylethanone
SMILESO=C(Cc1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C17H13NO/c19-16(12-13-6-2-1-3-7-13)15-10-4-8-14-9-5-11-18-17(14)15/h1-11H,12H2
InChIKeyXDCOSIINRIGYJY-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.66
Rot. Bonds3

About 2-phenyl-1-quinolin-8-ylethanone

2-phenyl-1-quinolin-8-ylethanone (PubChem CID 10999362) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-phenyl-1-quinolin-8-ylethanone.

Molecular Properties

Compound Name2-phenyl-1-quinolin-8-ylethanone
PubChem CID10999362
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name2-phenyl-1-quinolin-8-ylethanone
SMILESO=C(Cc1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C17H13NO/c19-16(12-13-6-2-1-3-7-13)15-10-4-8-14-9-5-11-18-17(14)15/h1-11H,12H2
InChIKeyXDCOSIINRIGYJY-UHFFFAOYSA-N
XLogP3.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-iodophenyl)-1-quinolin-8-ylethanone
CID 105103153
2-(3-aminophenyl)-1-quinolin-8-ylethanone
CID 116577224
4-phenyl-1-quinolin-8-ylbutan-1-one
CID 105093201
2-(2,3-dichlorophenyl)-1-quinolin-8-ylethanone
CID 107311695
2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone
CID 115790827
palladium;quinoline-8-carboxylic acid
CID 174945118
2-(2-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone
CID 105127133
2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone
CID 105089007
2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone
CID 105102618
(2-ethylphenyl)-quinolin-8-ylmethanone
CID 115790630
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
2-ethylsulfanyl-1-quinolin-8-ylethanone
CID 81220485

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-quinolin-8-ylethanone?
The IUPAC name of 2-phenyl-1-quinolin-8-ylethanone (CID 10999362) is 2-phenyl-1-quinolin-8-ylethanone.
What is the SMILES notation for 2-phenyl-1-quinolin-8-ylethanone?
The canonical SMILES for 2-phenyl-1-quinolin-8-ylethanone is O=C(Cc1ccccc1)c1cccc2cccnc12.
What is the InChIKey of 2-phenyl-1-quinolin-8-ylethanone?
The InChIKey is XDCOSIINRIGYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c19-16(12-13-6-2-1-3-7-13)15-10-4-8-14-9-5-11-18-17(14)15/h1-11H,12H2.
What are the key properties of 2-phenyl-1-quinolin-8-ylethanone?
2-phenyl-1-quinolin-8-ylethanone has a molecular weight of 247.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-quinolin-8-ylethanone is sourced from PubChem (CID 10999362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).