2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone

C17H11F2NO — CID 115790827

IUPAC2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone
SMILESO=C(Cc1cccc(F)c1F)c1cccc2cccnc12
InChIInChI=1S/C17H11F2NO/c18-14-8-2-5-12(16(14)19)10-15(21)13-7-1-4-11-6-3-9-20-17(11)13/h1-9H,10H2
InChIKeyAJHMJCXDHJCBSA-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.94
Rot. Bonds3

About 2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone

2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone (PubChem CID 115790827) has the molecular formula C17H11F2NO and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone
PubChem CID115790827
Molecular FormulaC17H11F2NO
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone
SMILESO=C(Cc1cccc(F)c1F)c1cccc2cccnc12
InChIInChI=1S/C17H11F2NO/c18-14-8-2-5-12(16(14)19)10-15(21)13-7-1-4-11-6-3-9-20-17(11)13/h1-9H,10H2
InChIKeyAJHMJCXDHJCBSA-UHFFFAOYSA-N
XLogP3.94
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone
CID 105127133
2-(2,3-dichlorophenyl)-1-quinolin-8-ylethanone
CID 107311695
2-phenyl-1-quinolin-8-ylethanone
CID 10999362
2-(4-iodophenyl)-1-quinolin-8-ylethanone
CID 105103153
2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone
CID 105102618
2-(3-aminophenyl)-1-quinolin-8-ylethanone
CID 116577224
2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone
CID 105089007
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 79522311
(2-ethylphenyl)-quinolin-8-ylmethanone
CID 115790630
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
palladium;quinoline-8-carboxylic acid
CID 174945118
2-(2,3-difluorophenyl)-1-pyrazin-2-ylethanone
CID 62621724

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone?
The IUPAC name of 2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone (CID 115790827) is 2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone is O=C(Cc1cccc(F)c1F)c1cccc2cccnc12.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone?
The InChIKey is AJHMJCXDHJCBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO/c18-14-8-2-5-12(16(14)19)10-15(21)13-7-1-4-11-6-3-9-20-17(11)13/h1-9H,10H2.
What are the key properties of 2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone?
2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone has a molecular weight of 283.28 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone is sourced from PubChem (CID 115790827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).