2-(2-chloro-6-fluorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

C17H15ClFNO — CID 1241678

IUPAC2-(2-chloro-6-fluorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCCc2ccccc21
InChIInChI=1S/C17H15ClFNO/c18-14-7-3-8-15(19)13(14)11-17(21)20-10-4-6-12-5-1-2-9-16(12)20/h1-3,5,7-9H,4,6,10-11H2
InChIKeyPLMZUTOIBOJCEW-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.00
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 1241678) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID1241678
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCCc2ccccc21
InChIInChI=1S/C17H15ClFNO/c18-14-7-3-8-15(19)13(14)11-17(21)20-10-4-6-12-5-1-2-9-16(12)20/h1-3,5,7-9H,4,6,10-11H2
InChIKeyPLMZUTOIBOJCEW-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-chloro-6-fluorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 1241678) is 2-(2-chloro-6-fluorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is O=C(Cc1c(F)cccc1Cl)N1CCCc2ccccc21.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is PLMZUTOIBOJCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c18-14-7-3-8-15(19)13(14)11-17(21)20-10-4-6-12-5-1-2-9-16(12)20/h1-3,5,7-9H,4,6,10-11H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 303.76 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 1241678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).