2-(2-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone

C17H11ClFNO — CID 105127133

IUPAC2-(2-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone
SMILESO=C(Cc1cccc(F)c1Cl)c1cccc2cccnc12
InChIInChI=1S/C17H11ClFNO/c18-16-12(5-2-8-14(16)19)10-15(21)13-7-1-4-11-6-3-9-20-17(11)13/h1-9H,10H2
InChIKeyNDFNBTVDDMLIKK-UHFFFAOYSA-N
MW299.73 g/mol
LogP4.45
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone

2-(2-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone (PubChem CID 105127133) has the molecular formula C17H11ClFNO and a molecular weight of 299.73 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone
PubChem CID105127133
Molecular FormulaC17H11ClFNO
Molecular Weight299.73 g/mol
Exact Mass299.05
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone
SMILESO=C(Cc1cccc(F)c1Cl)c1cccc2cccnc12
InChIInChI=1S/C17H11ClFNO/c18-16-12(5-2-8-14(16)19)10-15(21)13-7-1-4-11-6-3-9-20-17(11)13/h1-9H,10H2
InChIKeyNDFNBTVDDMLIKK-UHFFFAOYSA-N
XLogP4.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichlorophenyl)-1-quinolin-8-ylethanone
CID 107311695
2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone
CID 115790827
2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone
CID 105102618
2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 112653415
2-phenyl-1-quinolin-8-ylethanone
CID 10999362
2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone
CID 105089007
2-(3-aminophenyl)-1-quinolin-8-ylethanone
CID 116577224
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372
2-(4-iodophenyl)-1-quinolin-8-ylethanone
CID 105103153
2-(2-chloro-3-fluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 112653310
2-ethylsulfanyl-1-quinolin-8-ylethanone
CID 81220485
2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 82802165

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone (CID 105127133) is 2-(2-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone is O=C(Cc1cccc(F)c1Cl)c1cccc2cccnc12.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone?
The InChIKey is NDFNBTVDDMLIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO/c18-16-12(5-2-8-14(16)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-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone?
2-(2-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone has a molecular weight of 299.73 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-quinolin-8-ylethanone is sourced from PubChem (CID 105127133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).